1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol

C16H17ClFNO2 — CID 107364824

IUPAC1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H17ClFNO2/c1-11-4-2-3-5-16(11)21-10-15(20)9-19-14-7-12(17)6-13(18)8-14/h2-8,15,19-20H,9-10H2,1H3
InChIKeyNWKUIIRAQBKUBV-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.64
Rot. Bonds6

About 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol

1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 107364824) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID107364824
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H17ClFNO2/c1-11-4-2-3-5-16(11)21-10-15(20)9-19-14-7-12(17)6-13(18)8-14/h2-8,15,19-20H,9-10H2,1H3
InChIKeyNWKUIIRAQBKUBV-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)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-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898371
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol (CID 107364824) is 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NWKUIIRAQBKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-11-4-2-3-5-16(11)21-10-15(20)9-19-14-7-12(17)6-13(18)8-14/h2-8,15,19-20H,9-10H2,1H3.
What are the key properties of 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol?
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 309.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 107364824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).