1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol

C9H10Cl2FNO — CID 84700576

IUPAC1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,9,13-14H,4H2,1H3
InChIKeyKZKCWVNLRTVAGL-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol

1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 84700576) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol
PubChem CID84700576
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,9,13-14H,4H2,1H3
InChIKeyKZKCWVNLRTVAGL-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol (CID 84700576) is 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)c(F)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is KZKCWVNLRTVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,9,13-14H,4H2,1H3.
What are the key properties of 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol?
1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 238.09 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84700576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).