4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol

C15H14ClF2NO2 — CID 83073198

IUPAC4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2c(F)cc(F)cc2Cl)ccc1O
InChIInChI=1S/C15H14ClF2NO2/c1-8(9-3-4-13(20)14(5-9)21-2)19-15-11(16)6-10(17)7-12(15)18/h3-8,19-20H,1-2H3
InChIKeyKSEGRHZDQHYEAB-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.51
Rot. Bonds4

About 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol

4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol (PubChem CID 83073198) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
PubChem CID83073198
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2c(F)cc(F)cc2Cl)ccc1O
InChIInChI=1S/C15H14ClF2NO2/c1-8(9-3-4-13(20)14(5-9)21-2)19-15-11(16)6-10(17)7-12(15)18/h3-8,19-20H,1-2H3
InChIKeyKSEGRHZDQHYEAB-UHFFFAOYSA-N
XLogP4.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol 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

4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
2-bromo-4,6-difluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83059918
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
2-[1-(2-chloro-4,6-difluoroanilino)ethyl]-5-methylphenol
CID 83081884
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol (CID 83073198) is 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2c(F)cc(F)cc2Cl)ccc1O.
What is the InChIKey of 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol?
The InChIKey is KSEGRHZDQHYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-8(9-3-4-13(20)14(5-9)21-2)19-15-11(16)6-10(17)7-12(15)18/h3-8,19-20H,1-2H3.
What are the key properties of 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol?
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol has a molecular weight of 313.73 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 83073198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).