4-methyl-2-(1-phenylpropylamino)benzonitrile

C17H18N2 — CID 62305230

IUPAC4-methyl-2-(1-phenylpropylamino)benzonitrile
SMILESCCC(Nc1cc(C)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H18N2/c1-3-16(14-7-5-4-6-8-14)19-17-11-13(2)9-10-15(17)12-18/h4-11,16,19H,3H2,1-2H3
InChIKeyVWFYEHNODAHQBE-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.43
Rot. Bonds4

About 4-methyl-2-(1-phenylpropylamino)benzonitrile

4-methyl-2-(1-phenylpropylamino)benzonitrile (PubChem CID 62305230) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-(1-phenylpropylamino)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(1-phenylpropylamino)benzonitrile
PubChem CID62305230
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name4-methyl-2-(1-phenylpropylamino)benzonitrile
SMILESCCC(Nc1cc(C)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H18N2/c1-3-16(14-7-5-4-6-8-14)19-17-11-13(2)9-10-15(17)12-18/h4-11,16,19H,3H2,1-2H3
InChIKeyVWFYEHNODAHQBE-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-bromo-3-fluoro-4-(1-phenylpropylamino)benzonitrile
CID 107533581
methyl 2-(2-cyano-5-methylanilino)-2-phenylacetate
CID 62309140
2-nitro-3-(1-phenylpropylamino)benzonitrile
CID 104717837
2-[1-(4-chlorophenyl)propylamino]benzonitrile
CID 43080476
4-chloro-2-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871222
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
3-(2-methoxy-5-methylanilino)-3-phenylpropanenitrile
CID 62780374
2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
2-(2-aminobutylamino)-4-methylbenzonitrile
CID 63731405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenylpropylamino)benzonitrile?
The IUPAC name of 4-methyl-2-(1-phenylpropylamino)benzonitrile (CID 62305230) is 4-methyl-2-(1-phenylpropylamino)benzonitrile.
What is the SMILES notation for 4-methyl-2-(1-phenylpropylamino)benzonitrile?
The canonical SMILES for 4-methyl-2-(1-phenylpropylamino)benzonitrile is CCC(Nc1cc(C)ccc1C#N)c1ccccc1.
What is the InChIKey of 4-methyl-2-(1-phenylpropylamino)benzonitrile?
The InChIKey is VWFYEHNODAHQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-16(14-7-5-4-6-8-14)19-17-11-13(2)9-10-15(17)12-18/h4-11,16,19H,3H2,1-2H3.
What are the key properties of 4-methyl-2-(1-phenylpropylamino)benzonitrile?
4-methyl-2-(1-phenylpropylamino)benzonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenylpropylamino)benzonitrile is sourced from PubChem (CID 62305230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).