N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine

C17H15BrN2 — CID 66472775

IUPACN-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
SMILESCc1cc(CNc2cccc3ncccc23)ccc1Br
InChIInChI=1S/C17H15BrN2/c1-12-10-13(7-8-15(12)18)11-20-17-6-2-5-16-14(17)4-3-9-19-16/h2-10,20H,11H2,1H3
InChIKeyAQYKOSWVDCZEIV-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.92
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine

N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine (PubChem CID 66472775) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
PubChem CID66472775
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
SMILESCc1cc(CNc2cccc3ncccc23)ccc1Br
InChIInChI=1S/C17H15BrN2/c1-12-10-13(7-8-15(12)18)11-20-17-6-2-5-16-14(17)4-3-9-19-16/h2-10,20H,11H2,1H3
InChIKeyAQYKOSWVDCZEIV-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-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

2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
CID 107740450
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
CID 66473623
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
2-[(4-bromo-3-methylphenyl)methylamino]benzonitrile
CID 66473176

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine (CID 66472775) is N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine is Cc1cc(CNc2cccc3ncccc23)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine?
The InChIKey is AQYKOSWVDCZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12-10-13(7-8-15(12)18)11-20-17-6-2-5-16-14(17)4-3-9-19-16/h2-10,20H,11H2,1H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine?
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine has a molecular weight of 327.23 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine is sourced from PubChem (CID 66472775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).