Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

JFN : Summary

Code

JFN

One-letter code

X

Molecule name

(2R)-1-methoxypropan-2-amine

Synonyms

jeffamine

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-1-methoxypropan-2-amine
OpenEye OEToolkits 2.0.6 (2~{R})-1-methoxypropan-2-amine

Formula

C4 H11 N O

Formal charge

0

Molecular weight

89.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COCC(C)N
SMILES CACTVS 3.385 COC[CH](C)N
SMILES OpenEye OEToolkits 2.0.6 CC(COC)N
Canonical SMILES CACTVS 3.385 COC[C@@H](C)N
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H](COC)N

IUPAC InChI

InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1

IUPAC InChI key

NXMXETCTWNXSFG-SCSAIBSYSA-N
JFN

wwPDB Information

Atom count

17 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-17

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned