1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

C13H17N3O — CID 107973755

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1cn(C)cn1)c1ccccc1OC
InChIInChI=1S/C13H17N3O/c1-14-13(11-8-16(2)9-15-11)10-6-4-5-7-12(10)17-3/h4-9,13-14H,1-3H3
InChIKeyMYKYQSUBGSBDDZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (PubChem CID 107973755) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
PubChem CID107973755
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1cn(C)cn1)c1ccccc1OC
InChIInChI=1S/C13H17N3O/c1-14-13(11-8-16(2)9-15-11)10-6-4-5-7-12(10)17-3/h4-9,13-14H,1-3H3
InChIKeyMYKYQSUBGSBDDZ-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974741
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107975243
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 114022962
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
CID 107975644
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 106691466
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (CID 107973755) is 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is CNC(c1cn(C)cn1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The InChIKey is MYKYQSUBGSBDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-13(11-8-16(2)9-15-11)10-6-4-5-7-12(10)17-3/h4-9,13-14H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107973755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).