N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine

C16H14BrN3 — CID 62049687

IUPACN-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccccc1Br
InChIInChI=1S/C16H14BrN3/c1-11-16(18-10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)19-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPYEJRTFRYHUQSG-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.31
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine

N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine (PubChem CID 62049687) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
PubChem CID62049687
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC NameN-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccccc1Br
InChIInChI=1S/C16H14BrN3/c1-11-16(18-10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)19-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyPYEJRTFRYHUQSG-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
CID 106419114
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylquinoxalin-2-amine
CID 133306015
3-methyl-N-prop-2-enylquinoxalin-2-amine
CID 60734557
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
CID 102913999

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine (CID 62049687) is N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine?
The InChIKey is PYEJRTFRYHUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-16(18-10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)19-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine?
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 62049687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).