1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol

C16H17ClFNO2 — CID 60897189

IUPAC1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COCc1ccccc1Cl
InChIInChI=1S/C16H17ClFNO2/c17-16-7-2-1-4-12(16)10-21-11-15(20)9-19-14-6-3-5-13(18)8-14/h1-8,15,19-20H,9-11H2
InChIKeyKKUMQURLIPKJRE-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.47
Rot. Bonds7

About 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol (PubChem CID 60897189) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
PubChem CID60897189
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COCc1ccccc1Cl
InChIInChI=1S/C16H17ClFNO2/c17-16-7-2-1-4-12(16)10-21-11-15(20)9-19-14-6-3-5-13(18)8-14/h1-8,15,19-20H,9-11H2
InChIKeyKKUMQURLIPKJRE-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 2532709
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
(2S)-1-[(2-chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998352

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol (CID 60897189) is 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol is OC(CNc1cccc(F)c1)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol?
The InChIKey is KKUMQURLIPKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c17-16-7-2-1-4-12(16)10-21-11-15(20)9-19-14-6-3-5-13(18)8-14/h1-8,15,19-20H,9-11H2.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol has a molecular weight of 309.77 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60897189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).