2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol

C14H13BrClNO — CID 61048256

IUPAC2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16/h1-8,14,17-18H,9H2
InChIKeyUCOJMKLINRUAON-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol

2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol (PubChem CID 61048256) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
PubChem CID61048256
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16/h1-8,14,17-18H,9H2
InChIKeyUCOJMKLINRUAON-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-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
CID 65385758
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
2-[(4-bromoanilino)-phenylmethyl]phenol
CID 163183613
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
CID 61346045

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol (CID 61048256) is 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol is OCC(Nc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol?
The InChIKey is UCOJMKLINRUAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-10-5-7-11(8-6-10)17-14(9-18)12-3-1-2-4-13(12)16/h1-8,14,17-18H,9H2.
What are the key properties of 2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol?
2-(4-bromoanilino)-2-(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-(4-bromoanilino)-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 61048256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).