1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine

C15H20BrN3 — CID 114529956

IUPAC1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(CCc1nccn1C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-17-14(7-8-15-18-9-10-19(15)2)11-12-3-5-13(16)6-4-12/h3-6,9-10,14,17H,7-8,11H2,1-2H3
InChIKeyAZQBTBYRCIORNF-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine

1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114529956) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114529956
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(CCc1nccn1C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-17-14(7-8-15-18-9-10-19(15)2)11-12-3-5-13(16)6-4-12/h3-6,9-10,14,17H,7-8,11H2,1-2H3
InChIKeyAZQBTBYRCIORNF-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114529956) is 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine is CNC(CCc1nccn1C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is AZQBTBYRCIORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-17-14(7-8-15-18-9-10-19(15)2)11-12-3-5-13(16)6-4-12/h3-6,9-10,14,17H,7-8,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine?
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 2.95, 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-methyl-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114529956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).