N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine

C18H19N3 — CID 107356920

IUPACN-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-12,18-19H,3H2,1-2H3
InChIKeySGRVPENIIIHOEB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.64
Rot. Bonds4

About N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine

N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine (PubChem CID 107356920) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
PubChem CID107356920
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-12,18-19H,3H2,1-2H3
InChIKeySGRVPENIIIHOEB-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356945
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[isoquinolin-1-yl-(3-methylphenyl)methyl]ethanamine
CID 63948857
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114755291
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356903

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine (CID 107356920) is N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine is CCNC(c1cccc(C)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine?
The InChIKey is SGRVPENIIIHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-19-18(14-8-6-7-13(2)11-14)17-12-20-15-9-4-5-10-16(15)21-17/h4-12,18-19H,3H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine?
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine is sourced from PubChem (CID 107356920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).