3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol

C11H15ClFNO2 — CID 66175056

IUPAC3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(13)4-11(10)12/h2-4,7,9,14-16H,5-6H2,1H3
InChIKeyVUDIVMJETRPXRC-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.48
Rot. Bonds5

About 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol

3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol (PubChem CID 66175056) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
PubChem CID66175056
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(13)4-11(10)12/h2-4,7,9,14-16H,5-6H2,1H3
InChIKeyVUDIVMJETRPXRC-UHFFFAOYSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol (CID 66175056) is 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)c1ccc(F)cc1Cl.
What is the InChIKey of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol?
The InChIKey is VUDIVMJETRPXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(13)4-11(10)12/h2-4,7,9,14-16H,5-6H2,1H3.
What are the key properties of 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol?
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol has a molecular weight of 247.70 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66175056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).