2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile

C18H20N2 — CID 82140216

IUPAC2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
SMILESCC(c1ccccc1)C(C#N)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N2/c1-14(15-7-5-4-6-8-15)18(13-19)16-9-11-17(12-10-16)20(2)3/h4-12,14,18H,1-3H3
InChIKeyCFOUMQUJFOQBDW-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.16
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile

2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile (PubChem CID 82140216) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
PubChem CID82140216
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
SMILESCC(c1ccccc1)C(C#N)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N2/c1-14(15-7-5-4-6-8-15)18(13-19)16-9-11-17(12-10-16)20(2)3/h4-12,14,18H,1-3H3
InChIKeyCFOUMQUJFOQBDW-UHFFFAOYSA-N
XLogP4.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.16
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

2-(4-methylphenyl)-3-phenylbutanenitrile
CID 82140186
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
2-[4-(dimethylamino)phenyl]-3-phenylpropanenitrile
CID 82139261
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
2-(3-chloro-4-methoxyphenyl)-3-phenylbutanenitrile
CID 82140224
2-[benzyl(methyl)amino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 84757296
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
2-[4-(dimethylamino)phenyl]butanenitrile
CID 83684528
(2S)-2-[(1R)-1-phenylethyl]but-3-enenitrile
CID 10397236
(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile
CID 76764151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile (CID 82140216) is 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile is CC(c1ccccc1)C(C#N)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile?
The InChIKey is CFOUMQUJFOQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14(15-7-5-4-6-8-15)18(13-19)16-9-11-17(12-10-16)20(2)3/h4-12,14,18H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile?
2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile has a molecular weight of 264.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile is sourced from PubChem (CID 82140216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).