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

C16H22BrN3 — CID 62956131

IUPAC1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
SMILESCCCn1ccnc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-3-9-20-10-8-18-16(20)12-19-13(2)11-14-4-6-15(17)7-5-14/h4-8,10,13,19H,3,9,11-12H2,1-2H3
InChIKeyROSDPKJRFXWWQO-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.78
Rot. Bonds7

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

1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 62956131) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
PubChem CID62956131
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
SMILESCCCn1ccnc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-3-9-20-10-8-18-16(20)12-19-13(2)11-14-4-6-15(17)7-5-14/h4-8,10,13,19H,3,9,11-12H2,1-2H3
InChIKeyROSDPKJRFXWWQO-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
1-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956125
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine (CID 62956131) is 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine is CCCn1ccnc1CNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is ROSDPKJRFXWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-9-20-10-8-18-16(20)12-19-13(2)11-14-4-6-15(17)7-5-14/h4-8,10,13,19H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62956131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).