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

C14H18BrN3 — CID 60694668

IUPAC1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nccn1C)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3
InChIKeySQSWUGMOFZUSID-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.42
Rot. Bonds5

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

1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 60694668) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID60694668
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nccn1C)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3
InChIKeySQSWUGMOFZUSID-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 63001649
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 60694668) is 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is CCC(NCc1nccn1C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is SQSWUGMOFZUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.42, 5 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-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 60694668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).