1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H21F2NO3 — CID 60900433

IUPAC1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-14(2,3)19-9-10(18)8-17-11-6-4-5-7-12(11)20-13(15)16/h4-7,10,13,17-18H,8-9H2,1-3H3
InChIKeyNQWHEJKJWWFEAG-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.88
Rot. Bonds7

About 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60900433) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60900433
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1ccccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-14(2,3)19-9-10(18)8-17-11-6-4-5-7-12(11)20-13(15)16/h4-7,10,13,17-18H,8-9H2,1-3H3
InChIKeyNQWHEJKJWWFEAG-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60896653
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634429
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60900433) is 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is NQWHEJKJWWFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-14(2,3)19-9-10(18)8-17-11-6-4-5-7-12(11)20-13(15)16/h4-7,10,13,17-18H,8-9H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 289.32 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60900433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).