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-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
CID 62035507
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575

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).