2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol

C17H20BrNO2 — CID 115619649

IUPAC2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-17(13-20,14-5-3-2-4-6-14)19-11-12-21-16-9-7-15(18)8-10-16/h2-10,19-20H,11-13H2,1H3
InChIKeyJGFDKGOYHSRGTJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol

2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol (PubChem CID 115619649) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
PubChem CID115619649
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-17(13-20,14-5-3-2-4-6-14)19-11-12-21-16-9-7-15(18)8-10-16/h2-10,19-20H,11-13H2,1H3
InChIKeyJGFDKGOYHSRGTJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.33
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

2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
2-(4-bromophenyl)-2-(2-phenoxyethyl)propane-1,3-diol
CID 79445508
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
1-bromo-4-[4-chloro-3-(chloromethyl)-3-phenylbutoxy]benzene
CID 79446583
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
4-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]ethoxy]benzoic acid
CID 103261463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol (CID 115619649) is 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol is CC(CO)(NCCOc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol?
The InChIKey is JGFDKGOYHSRGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-17(13-20,14-5-3-2-4-6-14)19-11-12-21-16-9-7-15(18)8-10-16/h2-10,19-20H,11-13H2,1H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol?
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115619649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).