1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

C17H17N3O — CID 107356903

IUPAC1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cnc2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-18-17(12-6-5-7-13(10-12)21-2)16-11-19-14-8-3-4-9-15(14)20-16/h3-11,17-18H,1-2H3
InChIKeyDIZYEGVZUKESIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (PubChem CID 107356903) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
PubChem CID107356903
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cnc2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-18-17(12-6-5-7-13(10-12)21-2)16-11-19-14-8-3-4-9-15(14)20-16/h3-11,17-18H,1-2H3
InChIKeyDIZYEGVZUKESIJ-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356945
1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357086
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 114033683
1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 115785773
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (CID 107356903) is 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is CNC(c1cccc(OC)c1)c1cnc2ccccc2n1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The InChIKey is DIZYEGVZUKESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-18-17(12-6-5-7-13(10-12)21-2)16-11-19-14-8-3-4-9-15(14)20-16/h3-11,17-18H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107356903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).