1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol

C15H24BrNO2 — CID 115578408

IUPAC1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
SMILESCCCCOCCCNCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-2-3-9-19-10-5-8-17-12-15(18)13-6-4-7-14(16)11-13/h4,6-7,11,15,17-18H,2-3,5,8-10,12H2,1H3
InChIKeyMRTHDDBXTVXMMO-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.28
Rot. Bonds10

About 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol

1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol (PubChem CID 115578408) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
PubChem CID115578408
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
SMILESCCCCOCCCNCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-2-3-9-19-10-5-8-17-12-15(18)13-6-4-7-14(16)11-13/h4,6-7,11,15,17-18H,2-3,5,8-10,12H2,1H3
InChIKeyMRTHDDBXTVXMMO-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.28
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-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 61171276
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
CID 60734300
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-ethylphenyl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol
CID 144984988

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol (CID 115578408) is 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol is CCCCOCCCNCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol?
The InChIKey is MRTHDDBXTVXMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-2-3-9-19-10-5-8-17-12-15(18)13-6-4-7-14(16)11-13/h4,6-7,11,15,17-18H,2-3,5,8-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol?
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol has a molecular weight of 330.27 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol is sourced from PubChem (CID 115578408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).