5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol

C15H15ClFNO — CID 107701003

IUPAC5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)cc1O
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(17)7-14(13)16/h3-8,10,18-19H,1-2H3
InChIKeyZJVQSVFTXFRDDZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.67
Rot. Bonds3

About 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol

5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol (PubChem CID 107701003) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
PubChem CID107701003
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)cc1O
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(17)7-14(13)16/h3-8,10,18-19H,1-2H3
InChIKeyZJVQSVFTXFRDDZ-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43785537
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43766489

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol?
The IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol (CID 107701003) is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol.
What is the SMILES notation for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol?
The canonical SMILES for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol is Cc1ccc(NC(C)c2ccc(F)cc2Cl)cc1O.
What is the InChIKey of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol?
The InChIKey is ZJVQSVFTXFRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(17)7-14(13)16/h3-8,10,18-19H,1-2H3.
What are the key properties of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol?
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol has a molecular weight of 279.74 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol is sourced from PubChem (CID 107701003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).