4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile

C13H17N3O — CID 14881842

IUPAC4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC(CN)C2)cc1
InChIInChI=1S/C13H17N3O/c14-7-11-1-3-12(4-2-11)9-16-5-6-17-13(8-15)10-16/h1-4,13H,5-6,8-10,15H2
InChIKeyODYRBQWYNNOGQN-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.72
Rot. Bonds3

About 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile

4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 14881842) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
PubChem CID14881842
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC(CN)C2)cc1
InChIInChI=1S/C13H17N3O/c14-7-11-1-3-12(4-2-11)9-16-5-6-17-13(8-15)10-16/h1-4,13H,5-6,8-10,15H2
InChIKeyODYRBQWYNNOGQN-UHFFFAOYSA-N
XLogP0.72
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844448
[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
CID 114397914
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392884

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile (CID 14881842) is 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCOC(CN)C2)cc1.
What is the InChIKey of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is ODYRBQWYNNOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-11-1-3-12(4-2-11)9-16-5-6-17-13(8-15)10-16/h1-4,13H,5-6,8-10,15H2.
What are the key properties of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile?
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 14881842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).