2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine

C14H19N3O — CID 63974321

IUPAC2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-15-13(14-16-7-8-17(14)2)10-11-5-4-6-12(9-11)18-3/h4-9,13,15H,10H2,1-3H3
InChIKeyXAIQQZNYVSBOOK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine

2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 63974321) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID63974321
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-15-13(14-16-7-8-17(14)2)10-11-5-4-6-12(9-11)18-3/h4-9,13,15H,10H2,1-3H3
InChIKeyXAIQQZNYVSBOOK-UHFFFAOYSA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 63970848
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 105149496
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943311
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (CID 63974321) is 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1cccc(OC)c1)c1nccn1C.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is XAIQQZNYVSBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-13(14-16-7-8-17(14)2)10-11-5-4-6-12(9-11)18-3/h4-9,13,15H,10H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 63974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).