1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine

C12H15N3O — CID 114702632

IUPAC1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cncc2C(C)N)cc1
InChIInChI=1S/C12H15N3O/c1-9(13)12-7-14-8-15(12)10-3-5-11(16-2)6-4-10/h3-9H,13H2,1-2H3
InChIKeyKDUBKFDUWXTZLX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine

1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 114702632) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
PubChem CID114702632
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cncc2C(C)N)cc1
InChIInChI=1S/C12H15N3O/c1-9(13)12-7-14-8-15(12)10-3-5-11(16-2)6-4-10/h3-9H,13H2,1-2H3
InChIKeyKDUBKFDUWXTZLX-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
CID 104942381
1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
CID 114705855
1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
CID 114704938
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114705178

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine (CID 114702632) is 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine is COc1ccc(-n2cncc2C(C)N)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is KDUBKFDUWXTZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(13)12-7-14-8-15(12)10-3-5-11(16-2)6-4-10/h3-9H,13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine?
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114702632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).