(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine

C13H17N3O — CID 104942927

IUPAC(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cncc2[C@@H](C)N)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9-6-11(17-3)4-5-12(9)16-8-15-7-13(16)10(2)14/h4-8,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyACQWZWQVWUFQTE-SNVBAGLBSA-N
MW231.30 g/mol
LogP2.21
Rot. Bonds3

About (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine (PubChem CID 104942927) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
PubChem CID104942927
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(-n2cncc2[C@@H](C)N)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9-6-11(17-3)4-5-12(9)16-8-15-7-13(16)10(2)14/h4-8,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyACQWZWQVWUFQTE-SNVBAGLBSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444056

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine (CID 104942927) is (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine is COc1ccc(-n2cncc2[C@@H](C)N)c(C)c1.
What is the InChIKey of (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is ACQWZWQVWUFQTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-11(17-3)4-5-12(9)16-8-15-7-13(16)10(2)14/h4-8,10H,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).