2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol

C17H20BrNO2 — CID 107712113

IUPAC2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol
SMILESCC(N)C(Oc1ccccc1CCO)c1ccccc1Br
InChIInChI=1S/C17H20BrNO2/c1-12(19)17(14-7-3-4-8-15(14)18)21-16-9-5-2-6-13(16)10-11-20/h2-9,12,17,20H,10-11,19H2,1H3
InChIKeyICGSKFDGSFEHTF-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.45
Rot. Bonds6

About 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol

2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol (PubChem CID 107712113) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol
PubChem CID107712113
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol
SMILESCC(N)C(Oc1ccccc1CCO)c1ccccc1Br
InChIInChI=1S/C17H20BrNO2/c1-12(19)17(14-7-3-4-8-15(14)18)21-16-9-5-2-6-13(16)10-11-20/h2-9,12,17,20H,10-11,19H2,1H3
InChIKeyICGSKFDGSFEHTF-UHFFFAOYSA-N
XLogP3.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
2-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107712752
1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
CID 62337254
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
2-[2-[2-amino-1-(3-methylthiophen-2-yl)butoxy]phenyl]ethanol
CID 107712111
2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol
CID 63652901
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol (CID 107712113) is 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol is CC(N)C(Oc1ccccc1CCO)c1ccccc1Br.
What is the InChIKey of 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol?
The InChIKey is ICGSKFDGSFEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(19)17(14-7-3-4-8-15(14)18)21-16-9-5-2-6-13(16)10-11-20/h2-9,12,17,20H,10-11,19H2,1H3.
What are the key properties of 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol?
2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol has a molecular weight of 350.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol is sourced from PubChem (CID 107712113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).