1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol

C10H11ClF3NO — CID 84707989

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c1-15-5-9(16)7-4-6(10(12,13)14)2-3-8(7)11/h2-4,9,15-16H,5H2,1H3
InChIKeyPOWMCWJRBOKYNL-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.61
Rot. Bonds3

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol

1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 84707989) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
PubChem CID84707989
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c1-15-5-9(16)7-4-6(10(12,13)14)2-3-8(7)11/h2-4,9,15-16H,5H2,1H3
InChIKeyPOWMCWJRBOKYNL-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237640
(1S,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-ol
CID 171237488
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
3-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893310
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol (CID 84707989) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is POWMCWJRBOKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-15-5-9(16)7-4-6(10(12,13)14)2-3-8(7)11/h2-4,9,15-16H,5H2,1H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 253.65 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 84707989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).