(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine

C17H17N3 — CID 105140227

IUPAC(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3nccnc23)cc1C
InChIInChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-10,16H,18H2,1-2H3
InChIKeyZATYVAONZPJISW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.29
Rot. Bonds2

About (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine

(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine (PubChem CID 105140227) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
PubChem CID105140227
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3nccnc23)cc1C
InChIInChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-10,16H,18H2,1-2H3
InChIKeyZATYVAONZPJISW-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
CID 105142151
[(4-methylphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105285393
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The IUPAC name of (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine (CID 105140227) is (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The canonical SMILES for (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine is Cc1ccc(C(N)c2cccc3nccnc23)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine?
The InChIKey is ZATYVAONZPJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-10,16H,18H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine?
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 105140227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).