2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine

C12H15N3O — CID 16641645

IUPAC2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cn2ccnc2)c1
InChIInChI=1S/C12H15N3O/c1-16-11-4-2-3-10(7-11)12(13)8-15-6-5-14-9-15/h2-7,9,12H,8,13H2,1H3
InChIKeyUWTZXZMMVPLVJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds4

About 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine

2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine (PubChem CID 16641645) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
PubChem CID16641645
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cn2ccnc2)c1
InChIInChI=1S/C12H15N3O/c1-16-11-4-2-3-10(7-11)12(13)8-15-6-5-14-9-15/h2-7,9,12H,8,13H2,1H3
InChIKeyUWTZXZMMVPLVJV-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95135852
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80580468
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine (CID 16641645) is 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)Cn2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is UWTZXZMMVPLVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-11-4-2-3-10(7-11)12(13)8-15-6-5-14-9-15/h2-7,9,12H,8,13H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine?
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 16641645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).