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

C9H11ClFNO — CID 83700875

IUPAC1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-12-5-8(13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3
InChIKeyHMZDLSWFKALYOB-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.73
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 83700875) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
PubChem CID83700875
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-12-5-8(13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3
InChIKeyHMZDLSWFKALYOB-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-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 130642132
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117392899
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2-chloro-3-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003778
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
CID 130804035

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol (CID 83700875) is 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is HMZDLSWFKALYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-5-8(13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
1-(2-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-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 83700875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).