N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine

C17H17N3 — CID 60875520

IUPACN-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H17N3/c1-20(12-13-6-9-15(18)10-7-13)17-11-8-14-4-2-3-5-16(14)19-17/h2-11H,12,18H2,1H3
InChIKeyYGXKHHQWOKOHTA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.45
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine

N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine (PubChem CID 60875520) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
PubChem CID60875520
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
SMILESCN(Cc1ccc(N)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H17N3/c1-20(12-13-6-9-15(18)10-7-13)17-11-8-14-4-2-3-5-16(14)19-17/h2-11H,12,18H2,1H3
InChIKeyYGXKHHQWOKOHTA-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
CID 63229274
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 133274872
N-(2-cyclopropylethyl)-N-methylquinolin-2-amine
CID 133398513
N-chloro-N-methylquinolin-2-amine
CID 87550890
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine
CID 141030045
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
N-[(2-aminophenyl)methyl]-N-ethylquinolin-2-amine
CID 60875708
N-methyl-N-(2-pyrrolidin-1-ylethyl)quinolin-2-amine
CID 153322955
N-methyl-N-naphthalen-2-ylquinolin-2-amine
CID 70891325

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine (CID 60875520) is N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine is CN(Cc1ccc(N)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine?
The InChIKey is YGXKHHQWOKOHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20(12-13-6-9-15(18)10-7-13)17-11-8-14-4-2-3-5-16(14)19-17/h2-11H,12,18H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine?
N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 60875520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).