4-[(2-methyl-1-phenylpropyl)amino]benzonitrile

C17H18N2 — CID 43433051

IUPAC4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-13(2)17(15-6-4-3-5-7-15)19-16-10-8-14(12-18)9-11-16/h3-11,13,17,19H,1-2H3
InChIKeyWZZQHNAALWAUEY-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.37
Rot. Bonds4

About 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile

4-[(2-methyl-1-phenylpropyl)amino]benzonitrile (PubChem CID 43433051) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
PubChem CID43433051
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-13(2)17(15-6-4-3-5-7-15)19-16-10-8-14(12-18)9-11-16/h3-11,13,17,19H,1-2H3
InChIKeyWZZQHNAALWAUEY-UHFFFAOYSA-N
XLogP4.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
CID 43826622
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
4-[[3,4-dioxo-2-[[(1S)-1-phenylethyl]amino]cyclobuten-1-yl]amino]benzonitrile
CID 10852956
4-[(3,3,3-trifluoro-1-phenylpropyl)amino]benzonitrile
CID 43763822
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 114051633
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile?
The IUPAC name of 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile (CID 43433051) is 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile.
What is the SMILES notation for 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile?
The canonical SMILES for 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile is CC(C)C(Nc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile?
The InChIKey is WZZQHNAALWAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13(2)17(15-6-4-3-5-7-15)19-16-10-8-14(12-18)9-11-16/h3-11,13,17,19H,1-2H3.
What are the key properties of 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile?
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile has a molecular weight of 250.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1-phenylpropyl)amino]benzonitrile is sourced from PubChem (CID 43433051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).