2-anilino-2-(5-bromo-2-chlorophenyl)ethanol

C14H13BrClNO — CID 114077180

IUPAC2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
SMILESOCC(Nc1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-6-7-13(16)12(8-10)14(9-18)17-11-4-2-1-3-5-11/h1-8,14,17-18H,9H2
InChIKeyPBQVKUVVXVNHCR-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.25
Rot. Bonds4

About 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol

2-anilino-2-(5-bromo-2-chlorophenyl)ethanol (PubChem CID 114077180) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
PubChem CID114077180
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
SMILESOCC(Nc1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-6-7-13(16)12(8-10)14(9-18)17-11-4-2-1-3-5-11/h1-8,14,17-18H,9H2
InChIKeyPBQVKUVVXVNHCR-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
2-anilino-2-(2,5-dimethylphenyl)ethanol
CID 54977554
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol?
The IUPAC name of 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol (CID 114077180) is 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol.
What is the SMILES notation for 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol?
The canonical SMILES for 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol is OCC(Nc1ccccc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol?
The InChIKey is PBQVKUVVXVNHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-10-6-7-13(16)12(8-10)14(9-18)17-11-4-2-1-3-5-11/h1-8,14,17-18H,9H2.
What are the key properties of 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol?
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol has a molecular weight of 326.62 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(5-bromo-2-chlorophenyl)ethanol is sourced from PubChem (CID 114077180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).