3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol

C16H17ClFNO — CID 43790193

IUPAC3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)c(C)c1O
InChIInChI=1S/C16H17ClFNO/c1-9-4-7-15(10(2)16(9)20)19-11(3)13-6-5-12(18)8-14(13)17/h4-8,11,19-20H,1-3H3
InChIKeyGMBFWLAZUOFLAL-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.97
Rot. Bonds3

About 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol

3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol (PubChem CID 43790193) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
PubChem CID43790193
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)c(C)c1O
InChIInChI=1S/C16H17ClFNO/c1-9-4-7-15(10(2)16(9)20)19-11(3)13-6-5-12(18)8-14(13)17/h4-8,11,19-20H,1-3H3
InChIKeyGMBFWLAZUOFLAL-UHFFFAOYSA-N
XLogP4.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
CID 104726068
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol (CID 43790193) is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol is Cc1ccc(NC(C)c2ccc(F)cc2Cl)c(C)c1O.
What is the InChIKey of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol?
The InChIKey is GMBFWLAZUOFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-9-4-7-15(10(2)16(9)20)19-11(3)13-6-5-12(18)8-14(13)17/h4-8,11,19-20H,1-3H3.
What are the key properties of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol?
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol has a molecular weight of 293.77 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43790193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).