2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol

C14H13BrClNO — CID 83230882

IUPAC2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2
InChIKeyIQQVSHWKFLATMZ-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.84
Rot. Bonds3

About 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol

2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol (PubChem CID 83230882) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
PubChem CID83230882
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2
InChIKeyIQQVSHWKFLATMZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267803
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
3-bromo-1-(3-bromo-4-chlorophenyl)propane-1,2-diol
CID 171861069
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol?
The IUPAC name of 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol (CID 83230882) is 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol?
The canonical SMILES for 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol is NC(c1ccccc1)C(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol?
The InChIKey is IQQVSHWKFLATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2.
What are the key properties of 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol?
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol has a molecular weight of 326.62 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol is sourced from PubChem (CID 83230882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).