5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol

C15H15ClFNO2 — CID 43743616

IUPAC5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C15H15ClFNO2/c1-9(10-3-5-13(17)12(16)7-10)18-11-4-6-15(20-2)14(19)8-11/h3-9,18-19H,1-2H3
InChIKeyKSMFUFNZZSPFFA-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.37
Rot. Bonds4

About 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol

5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol (PubChem CID 43743616) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
PubChem CID43743616
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C15H15ClFNO2/c1-9(10-3-5-13(17)12(16)7-10)18-11-4-6-15(20-2)14(19)8-11/h3-9,18-19H,1-2H3
InChIKeyKSMFUFNZZSPFFA-UHFFFAOYSA-N
XLogP4.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol?
The IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol (CID 43743616) is 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol is COc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1O.
What is the InChIKey of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol?
The InChIKey is KSMFUFNZZSPFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-9(10-3-5-13(17)12(16)7-10)18-11-4-6-15(20-2)14(19)8-11/h3-9,18-19H,1-2H3.
What are the key properties of 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol?
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol has a molecular weight of 295.74 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol is sourced from PubChem (CID 43743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).