1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine

C16H22BrN3 — CID 66132292

IUPAC1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-4-16(13-5-7-14(17)8-6-13)19-10-15-9-18-11-20(15)12(2)3/h5-9,11-12,16,19H,4,10H2,1-3H3
InChIKeyFEFKWVQJRLLVDB-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.47
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine

1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66132292) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66132292
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCC(NCc1cncn1C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-4-16(13-5-7-14(17)8-6-13)19-10-15-9-18-11-20(15)12(2)3/h5-9,11-12,16,19H,4,10H2,1-3H3
InChIKeyFEFKWVQJRLLVDB-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
CID 66162579
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine (CID 66132292) is 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine is CCC(NCc1cncn1C(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is FEFKWVQJRLLVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-16(13-5-7-14(17)8-6-13)19-10-15-9-18-11-20(15)12(2)3/h5-9,11-12,16,19H,4,10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 336.28 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66132292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).