4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol

C16H17F2NO2 — CID 43205404

IUPAC4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
SMILESCC(NCc1ccc(OC(F)F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H17F2NO2/c1-11(13-4-6-14(20)7-5-13)19-10-12-2-8-15(9-3-12)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyKWUMVFSEHSOKJM-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.84
Rot. Bonds6

About 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol

4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol (PubChem CID 43205404) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
PubChem CID43205404
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
SMILESCC(NCc1ccc(OC(F)F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H17F2NO2/c1-11(13-4-6-14(20)7-5-13)19-10-12-2-8-15(9-3-12)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyKWUMVFSEHSOKJM-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103776062
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
N-[[4-(difluoromethoxy)phenyl]methyl]-4-methylpent-1-yn-3-amine
CID 114202061
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol (CID 43205404) is 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol is CC(NCc1ccc(OC(F)F)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol?
The InChIKey is KWUMVFSEHSOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-11(13-4-6-14(20)7-5-13)19-10-12-2-8-15(9-3-12)21-16(17)18/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol?
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol has a molecular weight of 293.31 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol is sourced from PubChem (CID 43205404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).