2-anilino-2-(4-propan-2-ylphenyl)acetonitrile

C17H18N2 — CID 54886538

IUPAC2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-13(2)14-8-10-15(11-9-14)17(12-18)19-16-6-4-3-5-7-16/h3-11,13,17,19H,1-2H3
InChIKeyBAYPYLSEYBTISK-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.49
Rot. Bonds4

About 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile

2-anilino-2-(4-propan-2-ylphenyl)acetonitrile (PubChem CID 54886538) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
PubChem CID54886538
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-13(2)14-8-10-15(11-9-14)17(12-18)19-16-6-4-3-5-7-16/h3-11,13,17,19H,1-2H3
InChIKeyBAYPYLSEYBTISK-UHFFFAOYSA-N
XLogP4.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-(3-methylsulfanylanilino)-2-phenylacetonitrile
CID 2732691
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile (CID 54886538) is 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile is CC(C)c1ccc(C(C#N)Nc2ccccc2)cc1.
What is the InChIKey of 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile?
The InChIKey is BAYPYLSEYBTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13(2)14-8-10-15(11-9-14)17(12-18)19-16-6-4-3-5-7-16/h3-11,13,17,19H,1-2H3.
What are the key properties of 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile?
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 54886538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).