[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol

C14H19F2NO3 — CID 111976506

IUPAC[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccc(OC(F)F)cc1)CC1(CO)COC1
InChIInChI=1S/C14H19F2NO3/c1-17(7-14(8-18)9-19-10-14)6-11-2-4-12(5-3-11)20-13(15)16/h2-5,13,18H,6-10H2,1H3
InChIKeyKLQLCMXSIOFCMT-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.73
Rot. Bonds7

About [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 111976506) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID111976506
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1ccc(OC(F)F)cc1)CC1(CO)COC1
InChIInChI=1S/C14H19F2NO3/c1-17(7-14(8-18)9-19-10-14)6-11-2-4-12(5-3-11)20-13(15)16/h2-5,13,18H,6-10H2,1H3
InChIKeyKLQLCMXSIOFCMT-UHFFFAOYSA-N
XLogP1.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 110019569
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol
CID 126809236
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolane-3-carboxylic acid
CID 66266684
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol (CID 111976506) is [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol is CN(Cc1ccc(OC(F)F)cc1)CC1(CO)COC1.
What is the InChIKey of [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is KLQLCMXSIOFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-17(7-14(8-18)9-19-10-14)6-11-2-4-12(5-3-11)20-13(15)16/h2-5,13,18H,6-10H2,1H3.
What are the key properties of [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 287.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).