2-[1-(2-methylphenyl)ethylamino]benzonitrile

C16H16N2 — CID 43178628

IUPAC2-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1ccccc1C#N
InChIInChI=1S/C16H16N2/c1-12-7-3-5-9-15(12)13(2)18-16-10-6-4-8-14(16)11-17/h3-10,13,18H,1-2H3
InChIKeyNNLFPPNQTAKUDI-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.04
Rot. Bonds3

About 2-[1-(2-methylphenyl)ethylamino]benzonitrile

2-[1-(2-methylphenyl)ethylamino]benzonitrile (PubChem CID 43178628) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylamino]benzonitrile
PubChem CID43178628
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[1-(2-methylphenyl)ethylamino]benzonitrile
SMILESCc1ccccc1C(C)Nc1ccccc1C#N
InChIInChI=1S/C16H16N2/c1-12-7-3-5-9-15(12)13(2)18-16-10-6-4-8-14(16)11-17/h3-10,13,18H,1-2H3
InChIKeyNNLFPPNQTAKUDI-UHFFFAOYSA-N
XLogP4.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
CID 43110526
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
2-(butan-2-ylamino)benzonitrile
CID 43178639
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 60704178
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylamino]benzonitrile?
The IUPAC name of 2-[1-(2-methylphenyl)ethylamino]benzonitrile (CID 43178628) is 2-[1-(2-methylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylamino]benzonitrile is Cc1ccccc1C(C)Nc1ccccc1C#N.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylamino]benzonitrile?
The InChIKey is NNLFPPNQTAKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-3-5-9-15(12)13(2)18-16-10-6-4-8-14(16)11-17/h3-10,13,18H,1-2H3.
What are the key properties of 2-[1-(2-methylphenyl)ethylamino]benzonitrile?
2-[1-(2-methylphenyl)ethylamino]benzonitrile has a molecular weight of 236.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43178628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).