1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone

C14H18BrNO2 — CID 102864528

IUPAC1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c15-12-6-4-11(5-7-12)14(18)10-16(8-9-17)13-2-1-3-13/h4-7,13,17H,1-3,8-10H2
InChIKeyWWVCQYLFZKBQKE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.48
Rot. Bonds6

About 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone

1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone (PubChem CID 102864528) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
PubChem CID102864528
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c15-12-6-4-11(5-7-12)14(18)10-16(8-9-17)13-2-1-3-13/h4-7,13,17H,1-3,8-10H2
InChIKeyWWVCQYLFZKBQKE-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-1-yl)-1-(4-bromophenyl)pentan-1-one
CID 11220599
1-(4-Bromophenyl)-2-morpholinoethanone hydrochloride
CID 24747690
1-(4-Bromophenyl)-3-morpholino-propan-1-one
CID 567715
1-(4-Bromophenyl)-2-morpholinoethanone
CID 410882
Ammonium, (2-hydroxyethyl)dimethylphenacyl-, bromide
CID 213451
Benzeneethanaminium, 4-bromo-N-(3-butoxy-2-hydroxypropyl)-N,N-dimethyl-beta-oxo-, bromide
CID 3064905
Acetic acid, 2-[3-(4-bromophenyl)-3-oxopropyl](methyl)amino-
CID 55449
2-[(2-Hydroxyethyl)methylamino]-1-phenyl-1-propanone
CID 232614
1-(2-Bromophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 2410566
1-[2-(4-Bromophenyl)-2-oxoethyl]-3-hydroxy-1-azoniabicyclo[2.2.2]octane
CID 3754107
2-(Pyrrolidin-1-yl)-1-(4-bromophenyl)pentan-1-one hydrochloride
CID 11515769
4-Bromo-alpha-ppp
CID 43227588

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone (CID 102864528) is 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)C1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is WWVCQYLFZKBQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-6-4-11(5-7-12)14(18)10-16(8-9-17)13-2-1-3-13/h4-7,13,17H,1-3,8-10H2.
What are the key properties of 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 312.21 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 102864528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).