3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile

C18H20N2O — CID 62779379

IUPAC3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
SMILESCOCc1cccc(CNC(CC#N)c2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-21-14-16-7-5-6-15(12-16)13-20-18(10-11-19)17-8-3-2-4-9-17/h2-9,12,18,20H,10,13-14H2,1H3
InChIKeyBPGPZBQBNUFYAH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.58
Rot. Bonds7

About 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile

3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile (PubChem CID 62779379) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
PubChem CID62779379
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
SMILESCOCc1cccc(CNC(CC#N)c2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-21-14-16-7-5-6-15(12-16)13-20-18(10-11-19)17-8-3-2-4-9-17/h2-9,12,18,20H,10,13-14H2,1H3
InChIKeyBPGPZBQBNUFYAH-UHFFFAOYSA-N
XLogP3.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 62780389
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile (CID 62779379) is 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile is COCc1cccc(CNC(CC#N)c2ccccc2)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile?
The InChIKey is BPGPZBQBNUFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-14-16-7-5-6-15(12-16)13-20-18(10-11-19)17-8-3-2-4-9-17/h2-9,12,18,20H,10,13-14H2,1H3.
What are the key properties of 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile?
3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile has a molecular weight of 280.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 62779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).