(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine

C13H16BrN3 — CID 104943472

IUPAC(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
SMILESCCc1cc(Br)ccc1-n1cncc1[C@@H](C)N
InChIInChI=1S/C13H16BrN3/c1-3-10-6-11(14)4-5-12(10)17-8-16-7-13(17)9(2)15/h4-9H,3,15H2,1-2H3/t9-/m1/s1
InChIKeyRMBOVGZFCZAMJH-SECBINFHSA-N
MW294.20 g/mol
LogP3.22
Rot. Bonds3

About (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine (PubChem CID 104943472) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
PubChem CID104943472
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
SMILESCCc1cc(Br)ccc1-n1cncc1[C@@H](C)N
InChIInChI=1S/C13H16BrN3/c1-3-10-6-11(14)4-5-12(10)17-8-16-7-13(17)9(2)15/h4-9H,3,15H2,1-2H3/t9-/m1/s1
InChIKeyRMBOVGZFCZAMJH-SECBINFHSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
1-(3-naphthalen-1-ylimidazol-4-yl)ethanamine
CID 114702749
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine (CID 104943472) is (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine is CCc1cc(Br)ccc1-n1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is RMBOVGZFCZAMJH-SECBINFHSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-10-6-11(14)4-5-12(10)17-8-16-7-13(17)9(2)15/h4-9H,3,15H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).