1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol

C15H14ClF2NO2 — CID 60898768

IUPAC1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1)COc1ccccc1Cl
InChIInChI=1S/C15H14ClF2NO2/c16-12-3-1-2-4-15(12)21-9-11(20)8-19-10-5-6-13(17)14(18)7-10/h1-7,11,19-20H,8-9H2
InChIKeyAWCKLGSHNMQDKH-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol

1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol (PubChem CID 60898768) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
PubChem CID60898768
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1)COc1ccccc1Cl
InChIInChI=1S/C15H14ClF2NO2/c16-12-3-1-2-4-15(12)21-9-11(20)8-19-10-5-6-13(17)14(18)7-10/h1-7,11,19-20H,8-9H2
InChIKeyAWCKLGSHNMQDKH-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol 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

1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
4-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]benzonitrile
CID 60901052
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
CID 61467288
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol (CID 60898768) is 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol is OC(CNc1ccc(F)c(F)c1)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol?
The InChIKey is AWCKLGSHNMQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c16-12-3-1-2-4-15(12)21-9-11(20)8-19-10-5-6-13(17)14(18)7-10/h1-7,11,19-20H,8-9H2.
What are the key properties of 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol?
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol has a molecular weight of 313.73 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol is sourced from PubChem (CID 60898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).