2-methyl-4-(2-phenylethylamino)benzonitrile

C16H16N2 — CID 81273543

IUPAC2-methyl-4-(2-phenylethylamino)benzonitrile
SMILESCc1cc(NCCc2ccccc2)ccc1C#N
InChIInChI=1S/C16H16N2/c1-13-11-16(8-7-15(13)12-17)18-10-9-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3
InChIKeyBMTIZLRYDSXQDM-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-4-(2-phenylethylamino)benzonitrile

2-methyl-4-(2-phenylethylamino)benzonitrile (PubChem CID 81273543) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethylamino)benzonitrile.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethylamino)benzonitrile
PubChem CID81273543
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-methyl-4-(2-phenylethylamino)benzonitrile
SMILESCc1cc(NCCc2ccccc2)ccc1C#N
InChIInChI=1S/C16H16N2/c1-13-11-16(8-7-15(13)12-17)18-10-9-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3
InChIKeyBMTIZLRYDSXQDM-UHFFFAOYSA-N
XLogP3.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzylamino)-2-methylbenzonitrile
CID 81272992
2-chloro-5-(2-phenylethylamino)benzonitrile
CID 43425627
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
2-methyl-4-(2-propan-2-yloxyethylamino)benzonitrile
CID 104761629
4-(4-methoxybutylamino)-2-methylbenzonitrile
CID 81273563
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
2-amino-5-(3-phenylpropylamino)benzonitrile
CID 115499167
4-[(2-amino-2-methylpropyl)amino]-2-methylbenzonitrile
CID 115303800
2-methyl-4-(2-methylbutan-2-ylamino)benzonitrile
CID 81277441
2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethylamino)benzonitrile?
The IUPAC name of 2-methyl-4-(2-phenylethylamino)benzonitrile (CID 81273543) is 2-methyl-4-(2-phenylethylamino)benzonitrile.
What is the SMILES notation for 2-methyl-4-(2-phenylethylamino)benzonitrile?
The canonical SMILES for 2-methyl-4-(2-phenylethylamino)benzonitrile is Cc1cc(NCCc2ccccc2)ccc1C#N.
What is the InChIKey of 2-methyl-4-(2-phenylethylamino)benzonitrile?
The InChIKey is BMTIZLRYDSXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-11-16(8-7-15(13)12-17)18-10-9-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylethylamino)benzonitrile?
2-methyl-4-(2-phenylethylamino)benzonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethylamino)benzonitrile is sourced from PubChem (CID 81273543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).