[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol

C16H17F2NO2 — CID 110006746

IUPAC[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccccc2OCC(F)F)cc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)11-21-15-4-2-1-3-14(15)19-9-12-5-7-13(10-20)8-6-12/h1-8,16,19-20H,9-11H2
InChIKeyAZGDOAIVRKTOOG-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.43
Rot. Bonds7

About [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol

[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol (PubChem CID 110006746) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
PubChem CID110006746
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccccc2OCC(F)F)cc1
InChIInChI=1S/C16H17F2NO2/c17-16(18)11-21-15-4-2-1-3-14(15)19-9-12-5-7-13(10-20)8-6-12/h1-8,16,19-20H,9-11H2
InChIKeyAZGDOAIVRKTOOG-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
CID 110006470
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 110006505
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006660
[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
CID 176989777
[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol (CID 110006746) is [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccccc2OCC(F)F)cc1.
What is the InChIKey of [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol?
The InChIKey is AZGDOAIVRKTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-16(18)11-21-15-4-2-1-3-14(15)19-9-12-5-7-13(10-20)8-6-12/h1-8,16,19-20H,9-11H2.
What are the key properties of [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol?
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol has a molecular weight of 293.31 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).