1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol

C9H11ClFNO — CID 62773520

IUPAC1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3
InChIKeyOYEMEPJCSGRFHL-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol

1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 62773520) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
PubChem CID62773520
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3
InChIKeyOYEMEPJCSGRFHL-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol
CID 163265554
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(2R)-2-[(S)-methylsulfinyl]propyl]urea
CID 97328956
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 133430857
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
(1S)-1-(4-chloro-3-fluorophenyl)-2-(oxan-4-ylamino)ethanol
CID 97328969
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol (CID 62773520) is 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is OYEMEPJCSGRFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 203.64 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 62773520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).