[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine

C16H18ClN3 — CID 63779100

IUPAC[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(Cl)cc2CN)c2ccccc21
InChIInChI=1S/C16H18ClN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(17)10-12(14)11-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyKIMLVDALZLTFOD-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.39
Rot. Bonds2

About [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine

[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine (PubChem CID 63779100) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
PubChem CID63779100
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2ccc(Cl)cc2CN)c2ccccc21
InChIInChI=1S/C16H18ClN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(17)10-12(14)11-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyKIMLVDALZLTFOD-UHFFFAOYSA-N
XLogP3.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine (CID 63779100) is [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine is CN1CCN(c2ccc(Cl)cc2CN)c2ccccc21.
What is the InChIKey of [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine?
The InChIKey is KIMLVDALZLTFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-19-8-9-20(16-5-3-2-4-15(16)19)14-7-6-13(17)10-12(14)11-18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine?
[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine has a molecular weight of 287.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).