(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

C18H19N3 — CID 81363891

IUPAC(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-7-3-4-8-16(13)14(2)19-11-15-12-20-17-9-5-6-10-18(17)21-15/h3-10,12,14,19H,11H2,1-2H3/t14-/m0/s1
InChIKeyLVHBYUDQUCCCQD-AWEZNQCLSA-N
MW277.37 g/mol
LogP3.79
Rot. Bonds4

About (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 81363891) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID81363891
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-7-3-4-8-16(13)14(2)19-11-15-12-20-17-9-5-6-10-18(17)21-15/h3-10,12,14,19H,11H2,1-2H3/t14-/m0/s1
InChIKeyLVHBYUDQUCCCQD-AWEZNQCLSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43786598

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (CID 81363891) is (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is Cc1ccccc1[C@H](C)NCc1cnc2ccccc2n1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is LVHBYUDQUCCCQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-3-4-8-16(13)14(2)19-11-15-12-20-17-9-5-6-10-18(17)21-15/h3-10,12,14,19H,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81363891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).