2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine

C13H16BrN3O — CID 79982978

IUPAC2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C13H16BrN3O/c1-18-12-2-3-13(14)10(6-12)7-17-8-11(4-5-15)16-9-17/h2-3,6,8-9H,4-5,7,15H2,1H3
InChIKeyPPCJQJQTPKIGKY-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.20
Rot. Bonds5

About 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine

2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79982978) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID79982978
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C13H16BrN3O/c1-18-12-2-3-13(14)10(6-12)7-17-8-11(4-5-15)16-9-17/h2-3,6,8-9H,4-5,7,15H2,1H3
InChIKeyPPCJQJQTPKIGKY-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720495
1-[(2-bromo-5-methoxyphenyl)methyl]imidazole-4-carboxylic acid
CID 106717011
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine (CID 79982978) is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine is COc1ccc(Br)c(Cn2cnc(CCN)c2)c1.
What is the InChIKey of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is PPCJQJQTPKIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-18-12-2-3-13(14)10(6-12)7-17-8-11(4-5-15)16-9-17/h2-3,6,8-9H,4-5,7,15H2,1H3.
What are the key properties of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 310.20 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).