2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile

C16H16N2 — CID 115131083

IUPAC2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile
SMILESCN(CC#N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-18(12-11-17)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3
InChIKeyNWQOGGFDEUGGPR-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.31
Rot. Bonds4

About 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile

2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile (PubChem CID 115131083) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile
PubChem CID115131083
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile
SMILESCN(CC#N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-18(12-11-17)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3
InChIKeyNWQOGGFDEUGGPR-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(4-phenoxyphenyl)methyl]amino]acetonitrile
CID 115131082
2-[(4-ethylphenyl)methyl-methylamino]acetonitrile
CID 60700013
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
2-[[2-(dimethylamino)phenyl]methyl-methylamino]acetonitrile
CID 71869059
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
N-benzyl-N-methyl-4-phenylaniline
CID 23459365

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile (CID 115131083) is 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile is CN(CC#N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile?
The InChIKey is NWQOGGFDEUGGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-18(12-11-17)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3.
What are the key properties of 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile?
2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile is sourced from PubChem (CID 115131083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).