CAS 14489-75-9|methyl(naphthalen-1-ylmethyl)amine|methyl(naphthalen-1-ylmethyl)amine|N-Methylnaphthalene-1-methylamine|1-Methylaminomethylnaphthalene|N-Methyl-1-naphthalenemethanamine|Methyl-1-napht...

General Information

Structure

Molecular Formula

C₁₂H₁₃N

Molecular Mass

171.23832

Exact Mass

171.10479942

Charge

InChI

InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3

InChIKey

MQRIUFVBEVFILS-UHFFFAOYSA-N

Canonic Smiles

CNCc1cccc2c1cccc2

Isomeric Smiles

c1ccc2c(c1)c(ccc2)CNC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.6959602

LogD (pH = 7.4)

0.034333013

Log P

2.5210714

Molar Refractivity

55.7562

Polarizability

23.243214

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl(naphthalen-1-ylmethyl)amine

IUPAC Traditional name

methyl(naphthalen-1-ylmethyl)amine

Synonyms

N-Methylnaphthalene-1-methylamine1-MethylaminomethylnaphthaleneN-Methyl-1-naphthalenemethanamineMethyl-1-naphthalenemethylamineN-Methyl-1-(naphthalen-1-yl)methanamine[(Naphthalen-1-yl)methyl]methylamineN-Methyl-N-[(1-naphthyl)methyl]amineNSC 129392N-Methyl-N-[(naphthalen-1-yl)methyl]amine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

Registration numbers

Properties