3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile

C17H18N2 — CID 55117724

IUPAC3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
SMILESCc1ccccc1CNC(CC#N)c1ccccc1
InChIInChI=1S/C17H18N2/c1-14-7-5-6-10-16(14)13-19-17(11-12-18)15-8-3-2-4-9-15/h2-10,17,19H,11,13H2,1H3
InChIKeyPRUKJHCACNBHSY-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.74
Rot. Bonds5

About 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile

3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile (PubChem CID 55117724) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
PubChem CID55117724
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
SMILESCc1ccccc1CNC(CC#N)c1ccccc1
InChIInChI=1S/C17H18N2/c1-14-7-5-6-10-16(14)13-19-17(11-12-18)15-8-3-2-4-9-15/h2-10,17,19H,11,13H2,1H3
InChIKeyPRUKJHCACNBHSY-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-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
CID 79749127
3-[(2-nitrophenyl)methylamino]-3-phenylpropanenitrile
CID 62778720
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 62780389
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
3-(3,4-dimethylanilino)-3-phenylpropanenitrile
CID 55117815
3-(1-phenylpropylamino)butanenitrile
CID 62306250
3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
CID 62779379
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile (CID 55117724) is 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile is Cc1ccccc1CNC(CC#N)c1ccccc1.
What is the InChIKey of 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile?
The InChIKey is PRUKJHCACNBHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14-7-5-6-10-16(14)13-19-17(11-12-18)15-8-3-2-4-9-15/h2-10,17,19H,11,13H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile?
3-[(2-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-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 55117724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).