1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol

C14H13BrClNO — CID 82704231

IUPAC1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
SMILESNc1ccc(Br)cc1C(O)Cc1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-5-6-13(17)11(8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14,18H,7,17H2
InChIKeyCEUKJEKIRZDOAB-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol

1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol (PubChem CID 82704231) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
PubChem CID82704231
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
SMILESNc1ccc(Br)cc1C(O)Cc1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-5-6-13(17)11(8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14,18H,7,17H2
InChIKeyCEUKJEKIRZDOAB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107884341
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol (CID 82704231) is 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol is Nc1ccc(Br)cc1C(O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol?
The InChIKey is CEUKJEKIRZDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-10-5-6-13(17)11(8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8,14,18H,7,17H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol?
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol has a molecular weight of 326.62 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 82704231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).