2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol

C14H13BrClNO — CID 60724934

IUPAC2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClNO/c15-11-2-1-3-13(8-11)17-9-14(18)10-4-6-12(16)7-5-10/h1-8,14,17-18H,9H2
InChIKeyNOWRUUQXSHPWNA-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol

2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol (PubChem CID 60724934) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
PubChem CID60724934
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClNO/c15-11-2-1-3-13(8-11)17-9-14(18)10-4-6-12(16)7-5-10/h1-8,14,17-18H,9H2
InChIKeyNOWRUUQXSHPWNA-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

Analyze 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromoanilino)-1-phenylethanol
CID 60719910
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
CID 63487848

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol (CID 60724934) is 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol is OC(CNc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol?
The InChIKey is NOWRUUQXSHPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-11-2-1-3-13(8-11)17-9-14(18)10-4-6-12(16)7-5-10/h1-8,14,17-18H,9H2.
What are the key properties of 2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol?
2-(3-bromoanilino)-1-(4-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-(3-bromoanilino)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 60724934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).