N-[(2-chlorophenyl)methyl]quinoxalin-6-amine

C15H12ClN3 — CID 54863546

IUPACN-[(2-chlorophenyl)methyl]quinoxalin-6-amine
SMILESClc1ccccc1CNc1ccc2nccnc2c1
InChIInChI=1S/C15H12ClN3/c16-13-4-2-1-3-11(13)10-19-12-5-6-14-15(9-12)18-8-7-17-14/h1-9,19H,10H2
InChIKeyIYBLSJMBWVVBEM-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]quinoxalin-6-amine

N-[(2-chlorophenyl)methyl]quinoxalin-6-amine (PubChem CID 54863546) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]quinoxalin-6-amine
PubChem CID54863546
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-[(2-chlorophenyl)methyl]quinoxalin-6-amine
SMILESClc1ccccc1CNc1ccc2nccnc2c1
InChIInChI=1S/C15H12ClN3/c16-13-4-2-1-3-11(13)10-19-12-5-6-14-15(9-12)18-8-7-17-14/h1-9,19H,10H2
InChIKeyIYBLSJMBWVVBEM-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78981083
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
CID 83230495
N-[(2-chlorophenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine
CID 22427236
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
CID 114452658
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
N-prop-2-ynylquinoxalin-6-amine
CID 63953900
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
CID 102834356
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]quinoxalin-6-amine (CID 54863546) is N-[(2-chlorophenyl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]quinoxalin-6-amine is Clc1ccccc1CNc1ccc2nccnc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]quinoxalin-6-amine?
The InChIKey is IYBLSJMBWVVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-13-4-2-1-3-11(13)10-19-12-5-6-14-15(9-12)18-8-7-17-14/h1-9,19H,10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]quinoxalin-6-amine?
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine has a molecular weight of 269.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 54863546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).