1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone

C15H20BrNO2 — CID 55132262

IUPAC1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(CCO)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-11(19)12-6-7-15(14(16)10-12)17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9H2,1H3
InChIKeyJVIJUARGFKDELF-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.39
Rot. Bonds5

About 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone

1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone (PubChem CID 55132262) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
PubChem CID55132262
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(CCO)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-11(19)12-6-7-15(14(16)10-12)17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9H2,1H3
InChIKeyJVIJUARGFKDELF-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
1-[3-bromo-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 62908808
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
1-[3-bromo-4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 63533701
1-[4-[cyclobutyl(3-hydroxypropyl)amino]-3-nitrophenyl]ethanone
CID 102846752
5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-5-nitrophenyl]ethanone
CID 102863301
1-[3-bromo-4-(dimethylamino)phenyl]ethanone
CID 62908287

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone (CID 55132262) is 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(CCO)C2CCCC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone?
The InChIKey is JVIJUARGFKDELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11(19)12-6-7-15(14(16)10-12)17(8-9-18)13-4-2-3-5-13/h6-7,10,13,18H,2-5,8-9H2,1H3.
What are the key properties of 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone?
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone is sourced from PubChem (CID 55132262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).