2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine

C13H21N3O — CID 106114846

IUPAC2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3O/c1-15-7-8-16(10-11(9-14)17-2)13-6-4-3-5-12(13)15/h3-6,11H,7-10,14H2,1-2H3
InChIKeySLOMEBGFVOWSDF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.92
Rot. Bonds4

About 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine

2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine (PubChem CID 106114846) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
PubChem CID106114846
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3O/c1-15-7-8-16(10-11(9-14)17-2)13-6-4-3-5-12(13)15/h3-6,11H,7-10,14H2,1-2H3
InChIKeySLOMEBGFVOWSDF-UHFFFAOYSA-N
XLogP0.92
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-2-amine
CID 63777117
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 112561690
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 66180815
1-cyclopropyl-N-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 63914146
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115475357
N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 63777833
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine (CID 106114846) is 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine is COC(CN)CN1CCN(C)c2ccccc21.
What is the InChIKey of 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The InChIKey is SLOMEBGFVOWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-7-8-16(10-11(9-14)17-2)13-6-4-3-5-12(13)15/h3-6,11H,7-10,14H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine is sourced from PubChem (CID 106114846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).