1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol

C15H15F2NO2 — CID 60901856

IUPAC1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
SMILESOC(CNc1cc(F)cc(F)c1)COc1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-11-6-12(17)8-13(7-11)18-9-14(19)10-20-15-4-2-1-3-5-15/h1-8,14,18-19H,9-10H2
InChIKeyCCAVSBACZWHLRI-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.82
Rot. Bonds6

About 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol

1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol (PubChem CID 60901856) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
PubChem CID60901856
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
SMILESOC(CNc1cc(F)cc(F)c1)COc1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-11-6-12(17)8-13(7-11)18-9-14(19)10-20-15-4-2-1-3-5-15/h1-8,14,18-19H,9-10H2
InChIKeyCCAVSBACZWHLRI-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol (CID 60901856) is 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol is OC(CNc1cc(F)cc(F)c1)COc1ccccc1.
What is the InChIKey of 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol?
The InChIKey is CCAVSBACZWHLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-11-6-12(17)8-13(7-11)18-9-14(19)10-20-15-4-2-1-3-5-15/h1-8,14,18-19H,9-10H2.
What are the key properties of 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol?
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol has a molecular weight of 279.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 60901856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).