4-[1-(4-bromo-2-chloroanilino)ethyl]phenol

C14H13BrClNO — CID 43347292

IUPAC4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H13BrClNO/c1-9(10-2-5-12(18)6-3-10)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyZMYROVQOXVCHDK-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.98
Rot. Bonds3

About 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol

4-[1-(4-bromo-2-chloroanilino)ethyl]phenol (PubChem CID 43347292) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
PubChem CID43347292
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H13BrClNO/c1-9(10-2-5-12(18)6-3-10)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyZMYROVQOXVCHDK-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 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 ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
2-[1-(4-bromo-2-chloroanilino)ethyl]benzene-1,3-diol
CID 107710545
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol?
The IUPAC name of 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol (CID 43347292) is 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol is CC(Nc1ccc(Br)cc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol?
The InChIKey is ZMYROVQOXVCHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(10-2-5-12(18)6-3-10)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3.
What are the key properties of 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol?
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol has a molecular weight of 326.62 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-2-chloroanilino)ethyl]phenol is sourced from PubChem (CID 43347292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).