1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol

C15H14Cl2FNO2 — CID 60898363

IUPAC1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)cc1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO2/c16-10-1-6-15(14(17)7-10)21-9-13(20)8-19-12-4-2-11(18)3-5-12/h1-7,13,19-20H,8-9H2
InChIKeyWBGWOAYUOADKFR-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.98
Rot. Bonds6

About 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol (PubChem CID 60898363) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
PubChem CID60898363
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)cc1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO2/c16-10-1-6-15(14(17)7-10)21-9-13(20)8-19-12-4-2-11(18)3-5-12/h1-7,13,19-20H,8-9H2
InChIKeyWBGWOAYUOADKFR-UHFFFAOYSA-N
XLogP3.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
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-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898371
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol (CID 60898363) is 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol is OC(CNc1ccc(F)cc1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol?
The InChIKey is WBGWOAYUOADKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c16-10-1-6-15(14(17)7-10)21-9-13(20)8-19-12-4-2-11(18)3-5-12/h1-7,13,19-20H,8-9H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol has a molecular weight of 330.19 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60898363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).