4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile

C24H24N2 — CID 134926337

IUPAC4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile
SMILESCC(C)C(Cc1ccccc1)N(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H24N2/c1-19(2)24(17-20-9-5-3-6-10-20)26(22-11-7-4-8-12-22)23-15-13-21(18-25)14-16-23/h3-16,19,24H,17H2,1-2H3
InChIKeyHCWXIAICMHOYGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.96
Rot. Bonds6

About 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile

4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile (PubChem CID 134926337) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile.

Molecular Properties

Compound Name4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile
PubChem CID134926337
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile
SMILESCC(C)C(Cc1ccccc1)N(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H24N2/c1-19(2)24(17-20-9-5-3-6-10-20)26(22-11-7-4-8-12-22)23-15-13-21(18-25)14-16-23/h3-16,19,24H,17H2,1-2H3
InChIKeyHCWXIAICMHOYGC-UHFFFAOYSA-N
XLogP5.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,2-diphenylethyl)benzonitrile
CID 10039481
4-(3-amino-2-phenylbutyl)benzonitrile
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2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
CID 67672789
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
4-(2-hydroxypropyl)benzonitrile
CID 66671297
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
4-[1-hydroxy-2-(N-methylanilino)ethyl]benzonitrile
CID 43288570
4-[methyl(2-phenylsulfanylethyl)amino]benzonitrile
CID 79222499
3-(4-cyanophenyl)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 82141019
4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
CID 58698926
4-(propan-2-yloxymethyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile?
The IUPAC name of 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile (CID 134926337) is 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile.
What is the SMILES notation for 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile?
The canonical SMILES for 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile is CC(C)C(Cc1ccccc1)N(c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile?
The InChIKey is HCWXIAICMHOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-19(2)24(17-20-9-5-3-6-10-20)26(22-11-7-4-8-12-22)23-15-13-21(18-25)14-16-23/h3-16,19,24H,17H2,1-2H3.
What are the key properties of 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile?
4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile has a molecular weight of 340.47 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile is sourced from PubChem (CID 134926337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).