[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol

C16H17F2NO2 — CID 43714977

IUPAC[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2NO2/c1-11(19-14-6-2-4-12(8-14)10-20)13-5-3-7-15(9-13)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyLPBMRJDENQIDEQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.95
Rot. Bonds6

About [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol

[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol (PubChem CID 43714977) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
PubChem CID43714977
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2NO2/c1-11(19-14-6-2-4-12(8-14)10-20)13-5-3-7-15(9-13)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyLPBMRJDENQIDEQ-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
CID 64792600
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
CID 97088118

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol (CID 43714977) is [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol is CC(Nc1cccc(CO)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol?
The InChIKey is LPBMRJDENQIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-11(19-14-6-2-4-12(8-14)10-20)13-5-3-7-15(9-13)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol?
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol has a molecular weight of 293.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol is sourced from PubChem (CID 43714977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).