1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol

C10H12ClF2NO2 — CID 117382385

IUPAC1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(F)c(OC)c1F
InChIInChI=1S/C10H12ClF2NO2/c1-14-4-7(15)5-3-6(11)9(13)10(16-2)8(5)12/h3,7,14-15H,4H2,1-2H3
InChIKeyIFGBHBBMWWOZLB-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol

1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol (PubChem CID 117382385) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
PubChem CID117382385
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(F)c(OC)c1F
InChIInChI=1S/C10H12ClF2NO2/c1-14-4-7(15)5-3-6(11)9(13)10(16-2)8(5)12/h3,7,14-15H,4H2,1-2H3
InChIKeyIFGBHBBMWWOZLB-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol (CID 117382385) is 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)c(F)c(OC)c1F.
What is the InChIKey of 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol?
The InChIKey is IFGBHBBMWWOZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2/c1-14-4-7(15)5-3-6(11)9(13)10(16-2)8(5)12/h3,7,14-15H,4H2,1-2H3.
What are the key properties of 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol?
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol has a molecular weight of 251.66 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).