(3-quinoxalin-2-ylphenyl)methanamine

C15H13N3 — CID 174907322

IUPAC(3-quinoxalin-2-ylphenyl)methanamine
SMILESNCc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H13N3/c16-9-11-4-3-5-12(8-11)15-10-17-13-6-1-2-7-14(13)18-15/h1-8,10H,9,16H2
InChIKeySZMKGTPSHVRRLK-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.76
Rot. Bonds2

About (3-quinoxalin-2-ylphenyl)methanamine

(3-quinoxalin-2-ylphenyl)methanamine (PubChem CID 174907322) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3-quinoxalin-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-quinoxalin-2-ylphenyl)methanamine
PubChem CID174907322
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(3-quinoxalin-2-ylphenyl)methanamine
SMILESNCc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H13N3/c16-9-11-4-3-5-12(8-11)15-10-17-13-6-1-2-7-14(13)18-15/h1-8,10H,9,16H2
InChIKeySZMKGTPSHVRRLK-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875
N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
CID 62358942
(3-quinoxalin-6-ylphenyl)methanamine
CID 68623609
[3-(6-methylquinolin-2-yl)phenyl]methanamine
CID 174921519
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
CID 28666339

Frequently Asked Questions

What is the IUPAC name of (3-quinoxalin-2-ylphenyl)methanamine?
The IUPAC name of (3-quinoxalin-2-ylphenyl)methanamine (CID 174907322) is (3-quinoxalin-2-ylphenyl)methanamine.
What is the SMILES notation for (3-quinoxalin-2-ylphenyl)methanamine?
The canonical SMILES for (3-quinoxalin-2-ylphenyl)methanamine is NCc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of (3-quinoxalin-2-ylphenyl)methanamine?
The InChIKey is SZMKGTPSHVRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-9-11-4-3-5-12(8-11)15-10-17-13-6-1-2-7-14(13)18-15/h1-8,10H,9,16H2.
What are the key properties of (3-quinoxalin-2-ylphenyl)methanamine?
(3-quinoxalin-2-ylphenyl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinoxalin-2-ylphenyl)methanamine is sourced from PubChem (CID 174907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).