5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol

C15H24BrNO2 — CID 107204738

IUPAC5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCC(O)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-17(10-5-2-6-12-18)11-9-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,15,18-19H,2,5-6,9-12H2,1H3
InChIKeySEDVGSFIFKYVAY-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.97
Rot. Bonds9

About 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol

5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol (PubChem CID 107204738) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
PubChem CID107204738
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCC(O)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-17(10-5-2-6-12-18)11-9-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,15,18-19H,2,5-6,9-12H2,1H3
InChIKeySEDVGSFIFKYVAY-UHFFFAOYSA-N
XLogP2.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
1-(5-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82074034
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol (CID 107204738) is 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol is CN(CCCCCO)CCC(O)c1ccccc1Br.
What is the InChIKey of 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol?
The InChIKey is SEDVGSFIFKYVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-17(10-5-2-6-12-18)11-9-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,15,18-19H,2,5-6,9-12H2,1H3.
What are the key properties of 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol?
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107204738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).