3-methyl-2-(naphthalen-1-ylamino)benzonitrile

C18H14N2 — CID 107106270

IUPAC3-methyl-2-(naphthalen-1-ylamino)benzonitrile
SMILESCc1cccc(C#N)c1Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2/c1-13-6-4-9-15(12-19)18(13)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-11,20H,1H3
InChIKeyHEZAPSSDQWBAHU-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.76
Rot. Bonds2

About 3-methyl-2-(naphthalen-1-ylamino)benzonitrile

3-methyl-2-(naphthalen-1-ylamino)benzonitrile (PubChem CID 107106270) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-1-ylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-1-ylamino)benzonitrile
PubChem CID107106270
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-methyl-2-(naphthalen-1-ylamino)benzonitrile
SMILESCc1cccc(C#N)c1Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2/c1-13-6-4-9-15(12-19)18(13)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-11,20H,1H3
InChIKeyHEZAPSSDQWBAHU-UHFFFAOYSA-N
XLogP4.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
2-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
naphthalene-1-carbonitrile;sulfane
CID 175607355
4,6-dimethyl-2-(naphthalen-1-ylamino)pyridin-1-ium-3-carbonitrile
CID 3269661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-1-ylamino)benzonitrile?
The IUPAC name of 3-methyl-2-(naphthalen-1-ylamino)benzonitrile (CID 107106270) is 3-methyl-2-(naphthalen-1-ylamino)benzonitrile.
What is the SMILES notation for 3-methyl-2-(naphthalen-1-ylamino)benzonitrile?
The canonical SMILES for 3-methyl-2-(naphthalen-1-ylamino)benzonitrile is Cc1cccc(C#N)c1Nc1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-(naphthalen-1-ylamino)benzonitrile?
The InChIKey is HEZAPSSDQWBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-13-6-4-9-15(12-19)18(13)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-11,20H,1H3.
What are the key properties of 3-methyl-2-(naphthalen-1-ylamino)benzonitrile?
3-methyl-2-(naphthalen-1-ylamino)benzonitrile has a molecular weight of 258.32 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(naphthalen-1-ylamino)benzonitrile is sourced from PubChem (CID 107106270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).