3-[methyl(naphthalen-1-yl)amino]benzonitrile

C18H14N2 — CID 70645311

IUPAC3-[methyl(naphthalen-1-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14N2/c1-20(16-9-4-6-14(12-16)13-19)18-11-5-8-15-7-2-3-10-17(15)18/h2-12H,1H3
InChIKeyRWRSZEZHIUQHQV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.48
Rot. Bonds2

About 3-[methyl(naphthalen-1-yl)amino]benzonitrile

3-[methyl(naphthalen-1-yl)amino]benzonitrile (PubChem CID 70645311) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[methyl(naphthalen-1-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl(naphthalen-1-yl)amino]benzonitrile
PubChem CID70645311
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-[methyl(naphthalen-1-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cccc2ccccc12
InChIInChI=1S/C18H14N2/c1-20(16-9-4-6-14(12-16)13-19)18-11-5-8-15-7-2-3-10-17(15)18/h2-12H,1H3
InChIKeyRWRSZEZHIUQHQV-UHFFFAOYSA-N
XLogP4.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylnaphthalen-1-amine;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;3-[N-methyl-4-[4-(N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 159177333
3-[2-(chloromethyl)-N-methylanilino]benzonitrile
CID 62981874
3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile
CID 62980889
3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 161201075
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
3-[3-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 63567830
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 159433022
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
CID 114890310
2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673765

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(naphthalen-1-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl(naphthalen-1-yl)amino]benzonitrile (CID 70645311) is 3-[methyl(naphthalen-1-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl(naphthalen-1-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl(naphthalen-1-yl)amino]benzonitrile is CN(c1cccc(C#N)c1)c1cccc2ccccc12.
What is the InChIKey of 3-[methyl(naphthalen-1-yl)amino]benzonitrile?
The InChIKey is RWRSZEZHIUQHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-20(16-9-4-6-14(12-16)13-19)18-11-5-8-15-7-2-3-10-17(15)18/h2-12H,1H3.
What are the key properties of 3-[methyl(naphthalen-1-yl)amino]benzonitrile?
3-[methyl(naphthalen-1-yl)amino]benzonitrile has a molecular weight of 258.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(naphthalen-1-yl)amino]benzonitrile is sourced from PubChem (CID 70645311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).