1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine

C13H17N3O — CID 171986196

IUPAC1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-16-8-7-15-13(16)9-12(14)10-3-5-11(17-2)6-4-10/h3-8,12H,9,14H2,1-2H3
InChIKeyRKPNCSVTXFYWRM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 171986196) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID171986196
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-16-8-7-15-13(16)9-12(14)10-3-5-11(17-2)6-4-10/h3-8,12H,9,14H2,1-2H3
InChIKeyRKPNCSVTXFYWRM-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
CID 64620589
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105009337
3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75484161

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 171986196) is 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine is COc1ccc(C(N)Cc2nccn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is RKPNCSVTXFYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-8-7-15-13(16)9-12(14)10-3-5-11(17-2)6-4-10/h3-8,12H,9,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 171986196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).