(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine

C15H11Cl2N3 — CID 105142151

IUPAC(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C15H11Cl2N3/c16-9-4-5-12(17)11(8-9)14(18)10-2-1-3-13-15(10)20-7-6-19-13/h1-8,14H,18H2
InChIKeyVXIPGSMCXNNYFA-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.98
Rot. Bonds2

About (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine

(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine (PubChem CID 105142151) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
PubChem CID105142151
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C15H11Cl2N3/c16-9-4-5-12(17)11(8-9)14(18)10-2-1-3-13-15(10)20-7-6-19-13/h1-8,14H,18H2
InChIKeyVXIPGSMCXNNYFA-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

2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(4-chlorophenyl)-quinoxalin-5-ylmethanol
CID 105120341
(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine (CID 105142151) is (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine is NC(c1cc(Cl)ccc1Cl)c1cccc2nccnc12.
What is the InChIKey of (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is VXIPGSMCXNNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-9-4-5-12(17)11(8-9)14(18)10-2-1-3-13-15(10)20-7-6-19-13/h1-8,14H,18H2.
What are the key properties of (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine?
(2,5-dichlorophenyl)-quinoxalin-5-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 (2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105142151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).