(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine

C15H11Cl2N3 — CID 107356865

IUPAC(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H11Cl2N3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-8,15H,18H2
InChIKeyQQDIGSNQJPCRSH-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.98
Rot. Bonds2

About (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine

(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine (PubChem CID 107356865) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
PubChem CID107356865
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H11Cl2N3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-8,15H,18H2
InChIKeyQQDIGSNQJPCRSH-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
CID 107357509
(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357097
(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754979
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357093
[(3,4-difluorophenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357865
(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105076919
(3-chlorophenyl)-quinolin-2-ylmethanamine
CID 63222803
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-quinoxalin-2-ylhexan-1-amine
CID 107357026

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine?
The IUPAC name of (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine (CID 107356865) is (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine?
The canonical SMILES for (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine is NC(c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1.
What is the InChIKey of (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine?
The InChIKey is QQDIGSNQJPCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-8,15H,18H2.
What are the key properties of (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine?
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine has a molecular weight of 304.18 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107356865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).