N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine

C15H11BrClN3 — CID 83230495

IUPACN-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
SMILESClc1ccc(CNc2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C15H11BrClN3/c16-12-7-10(1-3-13(12)17)9-20-11-2-4-14-15(8-11)19-6-5-18-14/h1-8,20H,9H2
InChIKeyKMTSIJLBDHLHTH-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.66
Rot. Bonds3

About N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine

N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine (PubChem CID 83230495) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
PubChem CID83230495
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
SMILESClc1ccc(CNc2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C15H11BrClN3/c16-12-7-10(1-3-13(12)17)9-20-11-2-4-14-15(8-11)19-6-5-18-14/h1-8,20H,9H2
InChIKeyKMTSIJLBDHLHTH-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
CID 102834356
5-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzoic acid
CID 83230245
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzonitrile
CID 83235729
N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
CID 114452658
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
CID 62084324
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
N-[(3-bromo-4-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 83232626

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine (CID 83230495) is N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine is Clc1ccc(CNc2ccc3nccnc3c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine?
The InChIKey is KMTSIJLBDHLHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-12-7-10(1-3-13(12)17)9-20-11-2-4-14-15(8-11)19-6-5-18-14/h1-8,20H,9H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine?
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine has a molecular weight of 348.63 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 83230495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).