3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C13H16BrN3 — CID 115053222

IUPAC3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1C(CCN)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-17-9-8-16-13(17)12(6-7-15)10-2-4-11(14)5-3-10/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyROEHJFQKRWZZMV-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.66
Rot. Bonds4

About 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 115053222) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID115053222
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1C(CCN)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-17-9-8-16-13(17)12(6-7-15)10-2-4-11(14)5-3-10/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyROEHJFQKRWZZMV-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol
CID 115038366
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 91445896
3-(4-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 115037927
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 115053222) is 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cn1ccnc1C(CCN)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is ROEHJFQKRWZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-9-8-16-13(17)12(6-7-15)10-2-4-11(14)5-3-10/h2-5,8-9,12H,6-7,15H2,1H3.
What are the key properties of 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 115053222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).