3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile

C17H18N2 — CID 62780389

IUPAC3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
SMILESCc1cccc(CNC(CC#N)c2ccccc2)c1
InChIInChI=1S/C17H18N2/c1-14-6-5-7-15(12-14)13-19-17(10-11-18)16-8-3-2-4-9-16/h2-9,12,17,19H,10,13H2,1H3
InChIKeyDVEJLKVYVGIRJH-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.74
Rot. Bonds5

About 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile

3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile (PubChem CID 62780389) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
PubChem CID62780389
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
SMILESCc1cccc(CNC(CC#N)c2ccccc2)c1
InChIInChI=1S/C17H18N2/c1-14-6-5-7-15(12-14)13-19-17(10-11-18)16-8-3-2-4-9-16/h2-9,12,17,19H,10,13H2,1H3
InChIKeyDVEJLKVYVGIRJH-UHFFFAOYSA-N
XLogP3.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
CID 62779379
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
3-(3-methylphenyl)pentanedinitrile
CID 20546281
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
2-[3-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81369031
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
3-(2-methoxy-5-methylanilino)-3-phenylpropanenitrile
CID 62780374

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile (CID 62780389) is 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile is Cc1cccc(CNC(CC#N)c2ccccc2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile?
The InChIKey is DVEJLKVYVGIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14-6-5-7-15(12-14)13-19-17(10-11-18)16-8-3-2-4-9-16/h2-9,12,17,19H,10,13H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile?
3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile has a molecular weight of 250.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 62780389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).