1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone

C14H20BrNO2 — CID 107201029

IUPAC1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
SMILESCN(CCCCCO)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-16(9-3-2-4-10-17)11-14(18)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3
InChIKeyJABMKKZHUVRJMT-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.73
Rot. Bonds8

About 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone

1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone (PubChem CID 107201029) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
PubChem CID107201029
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
SMILESCN(CCCCCO)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-16(9-3-2-4-10-17)11-14(18)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3
InChIKeyJABMKKZHUVRJMT-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892158
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865706
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butan-1-one
CID 79389968
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone (CID 107201029) is 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone is CN(CCCCCO)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The InChIKey is JABMKKZHUVRJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16(9-3-2-4-10-17)11-14(18)12-5-7-13(15)8-6-12/h5-8,17H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone has a molecular weight of 314.22 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone is sourced from PubChem (CID 107201029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).