3-[[4-(difluoromethoxy)anilino]methyl]phenol

C14H13F2NO2 — CID 28623903

IUPAC3-[[4-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1cccc(CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-6-4-11(5-7-13)17-9-10-2-1-3-12(18)8-10/h1-8,14,17-18H,9H2
InChIKeyFWAKMRDMKPCCQT-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.61
Rot. Bonds5

About 3-[[4-(difluoromethoxy)anilino]methyl]phenol

3-[[4-(difluoromethoxy)anilino]methyl]phenol (PubChem CID 28623903) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)anilino]methyl]phenol
PubChem CID28623903
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name3-[[4-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1cccc(CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-6-4-11(5-7-13)17-9-10-2-1-3-12(18)8-10/h1-8,14,17-18H,9H2
InChIKeyFWAKMRDMKPCCQT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfonyl)aniline
CID 133278049
N-[[3-(difluoromethoxy)phenyl]methyl]-4-nitroaniline
CID 133278069
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)anilino]methyl]phenol?
The IUPAC name of 3-[[4-(difluoromethoxy)anilino]methyl]phenol (CID 28623903) is 3-[[4-(difluoromethoxy)anilino]methyl]phenol.
What is the SMILES notation for 3-[[4-(difluoromethoxy)anilino]methyl]phenol?
The canonical SMILES for 3-[[4-(difluoromethoxy)anilino]methyl]phenol is Oc1cccc(CNc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(difluoromethoxy)anilino]methyl]phenol?
The InChIKey is FWAKMRDMKPCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-14(16)19-13-6-4-11(5-7-13)17-9-10-2-1-3-12(18)8-10/h1-8,14,17-18H,9H2.
What are the key properties of 3-[[4-(difluoromethoxy)anilino]methyl]phenol?
3-[[4-(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-[[4-(difluoromethoxy)anilino]methyl]phenol is sourced from PubChem (CID 28623903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).