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

C17H20BrNO2 — CID 62380958

IUPAC1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
SMILESOC(CNCCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c18-15-7-4-6-14(12-15)17(20)13-19-10-5-11-21-16-8-2-1-3-9-16/h1-4,6-9,12,17,19-20H,5,10-11,13H2
InChIKeyYPJRNXMMTJTNCZ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.54
Rot. Bonds8

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

1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol (PubChem CID 62380958) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
PubChem CID62380958
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
SMILESOC(CNCCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c18-15-7-4-6-14(12-15)17(20)13-19-10-5-11-21-16-8-2-1-3-9-16/h1-4,6-9,12,17,19-20H,5,10-11,13H2
InChIKeyYPJRNXMMTJTNCZ-UHFFFAOYSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.54
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-butoxypropylamino)ethanol
CID 115578408
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
CID 66169524
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol (CID 62380958) is 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol is OC(CNCCCOc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol?
The InChIKey is YPJRNXMMTJTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-15-7-4-6-14(12-15)17(20)13-19-10-5-11-21-16-8-2-1-3-9-16/h1-4,6-9,12,17,19-20H,5,10-11,13H2.
What are the key properties of 1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol?
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol has a molecular weight of 350.26 g/mol, XLogP of 3.54, 8 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-phenoxypropylamino)ethanol is sourced from PubChem (CID 62380958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).