3-[[3-(difluoromethoxy)anilino]methyl]phenol

C14H13F2NO2 — CID 43698912

IUPAC3-[[3-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1cccc(CNc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-6-2-4-11(8-13)17-9-10-3-1-5-12(18)7-10/h1-8,14,17-18H,9H2
InChIKeyIYBRNPZQVVGXIB-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.61
Rot. Bonds5

About 3-[[3-(difluoromethoxy)anilino]methyl]phenol

3-[[3-(difluoromethoxy)anilino]methyl]phenol (PubChem CID 43698912) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)anilino]methyl]phenol
PubChem CID43698912
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name3-[[3-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1cccc(CNc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-6-2-4-11(8-13)17-9-10-3-1-5-12(18)7-10/h1-8,14,17-18H,9H2
InChIKeyIYBRNPZQVVGXIB-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)anilino]methyl]phenol?
The IUPAC name of 3-[[3-(difluoromethoxy)anilino]methyl]phenol (CID 43698912) is 3-[[3-(difluoromethoxy)anilino]methyl]phenol.
What is the SMILES notation for 3-[[3-(difluoromethoxy)anilino]methyl]phenol?
The canonical SMILES for 3-[[3-(difluoromethoxy)anilino]methyl]phenol is Oc1cccc(CNc2cccc(OC(F)F)c2)c1.
What is the InChIKey of 3-[[3-(difluoromethoxy)anilino]methyl]phenol?
The InChIKey is IYBRNPZQVVGXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-14(16)19-13-6-2-4-11(8-13)17-9-10-3-1-5-12(18)7-10/h1-8,14,17-18H,9H2.
What are the key properties of 3-[[3-(difluoromethoxy)anilino]methyl]phenol?
3-[[3-(difluoromethoxy)anilino]methyl]phenol has a molecular weight of 265.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)anilino]methyl]phenol is sourced from PubChem (CID 43698912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).