2-(3-bromophenyl)-2-(3-chloroanilino)ethanol

C14H13BrClNO — CID 61050345

IUPAC2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
SMILESOCC(Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyRVMJQMDUUSXJHU-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol

2-(3-bromophenyl)-2-(3-chloroanilino)ethanol (PubChem CID 61050345) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
PubChem CID61050345
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
SMILESOCC(Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2
InChIKeyRVMJQMDUUSXJHU-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-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol?
The IUPAC name of 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol (CID 61050345) is 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol is OCC(Nc1cccc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol?
The InChIKey is RVMJQMDUUSXJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-11-4-1-3-10(7-11)14(9-18)17-13-6-2-5-12(16)8-13/h1-8,14,17-18H,9H2.
What are the key properties of 2-(3-bromophenyl)-2-(3-chloroanilino)ethanol?
2-(3-bromophenyl)-2-(3-chloroanilino)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-bromophenyl)-2-(3-chloroanilino)ethanol is sourced from PubChem (CID 61050345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).