3-(N,4-dimethylanilino)-2-phenylpropanenitrile

C17H18N2 — CID 64536950

IUPAC3-(N,4-dimethylanilino)-2-phenylpropanenitrile
SMILESCc1ccc(N(C)CC(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-14-8-10-17(11-9-14)19(2)13-16(12-18)15-6-4-3-5-7-15/h3-11,16H,13H2,1-2H3
InChIKeyRZYRPLNLOXNIJM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.74
Rot. Bonds4

About 3-(N,4-dimethylanilino)-2-phenylpropanenitrile

3-(N,4-dimethylanilino)-2-phenylpropanenitrile (PubChem CID 64536950) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(N,4-dimethylanilino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(N,4-dimethylanilino)-2-phenylpropanenitrile
PubChem CID64536950
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name3-(N,4-dimethylanilino)-2-phenylpropanenitrile
SMILESCc1ccc(N(C)CC(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-14-8-10-17(11-9-14)19(2)13-16(12-18)15-6-4-3-5-7-15/h3-11,16H,13H2,1-2H3
InChIKeyRZYRPLNLOXNIJM-UHFFFAOYSA-N
XLogP3.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
CID 64536346
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
2-[4-(dimethylamino)phenyl]-3-phenylpropanenitrile
CID 82139261
3-[N-(2-cyanoethyl)anilino]-2-phenylpropanenitrile
CID 64537136
ethane;2-phenylbutanenitrile
CID 91343198
N-(4-bromophenyl)-N'-methyl-N'-(4-methylphenyl)-1-phenylethane-1,2-diamine
CID 132537250
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
CID 82141321
2-(4-methylphenyl)-5-phenylpentanenitrile
CID 82137049

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-dimethylanilino)-2-phenylpropanenitrile?
The IUPAC name of 3-(N,4-dimethylanilino)-2-phenylpropanenitrile (CID 64536950) is 3-(N,4-dimethylanilino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(N,4-dimethylanilino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(N,4-dimethylanilino)-2-phenylpropanenitrile is Cc1ccc(N(C)CC(C#N)c2ccccc2)cc1.
What is the InChIKey of 3-(N,4-dimethylanilino)-2-phenylpropanenitrile?
The InChIKey is RZYRPLNLOXNIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14-8-10-17(11-9-14)19(2)13-16(12-18)15-6-4-3-5-7-15/h3-11,16H,13H2,1-2H3.
What are the key properties of 3-(N,4-dimethylanilino)-2-phenylpropanenitrile?
3-(N,4-dimethylanilino)-2-phenylpropanenitrile has a molecular weight of 250.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-dimethylanilino)-2-phenylpropanenitrile is sourced from PubChem (CID 64536950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).