2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile

C17H18N2 — CID 54886362

IUPAC2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
SMILESCc1ccc(NC(C#N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,1-3H3
InChIKeyQPWONDDYGWDNRI-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.29
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile

2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile (PubChem CID 54886362) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
PubChem CID54886362
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
SMILESCc1ccc(NC(C#N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,1-3H3
InChIKeyQPWONDDYGWDNRI-UHFFFAOYSA-N
XLogP4.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(4-bromo-3-methylphenyl)-2-(4-chloroanilino)acetonitrile
CID 66480567
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylanilino)acetonitrile
CID 60986622
methyl 4-[cyano-(4-methylanilino)methyl]benzoate
CID 60987647
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-methylphenyl)acetonitrile
CID 106817643
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile (CID 54886362) is 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile is Cc1ccc(NC(C#N)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile?
The InChIKey is QPWONDDYGWDNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile?
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile is sourced from PubChem (CID 54886362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).