N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine

C18H17BrN2 — CID 66473623

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NCc3ccc(Br)c(C)c3)c2n1
InChIInChI=1S/C18H17BrN2/c1-12-10-14(7-9-16(12)19)11-20-17-5-3-4-15-8-6-13(2)21-18(15)17/h3-10,20H,11H2,1-2H3
InChIKeyKWANZYRSBUREFL-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.23
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine

N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine (PubChem CID 66473623) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
PubChem CID66473623
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NCc3ccc(Br)c(C)c3)c2n1
InChIInChI=1S/C18H17BrN2/c1-12-10-14(7-9-16(12)19)11-20-17-5-3-4-15-8-6-13(2)21-18(15)17/h3-10,20H,11H2,1-2H3
InChIKeyKWANZYRSBUREFL-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine
CID 102835610
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
2-methyl-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 62954281
N-[(2,6-difluorophenyl)methyl]-2-methylquinolin-8-amine
CID 62954438
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378188
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
2-[(4-bromo-3-methylphenyl)methylamino]benzonitrile
CID 66473176
(2-methylquinolin-8-yl)hydrazine
CID 957615
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine (CID 66473623) is N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine is Cc1ccc2cccc(NCc3ccc(Br)c(C)c3)c2n1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine?
The InChIKey is KWANZYRSBUREFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-10-14(7-9-16(12)19)11-20-17-5-3-4-15-8-6-13(2)21-18(15)17/h3-10,20H,11H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine?
N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine has a molecular weight of 341.25 g/mol, XLogP of 5.23, 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]-2-methylquinolin-8-amine is sourced from PubChem (CID 66473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).