[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol

C14H19F2NO3 — CID 79135068

IUPAC[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
SMILESNCC1(C(O)c2ccccc2OC(F)F)CCOCC1
InChIInChI=1S/C14H19F2NO3/c15-13(16)20-11-4-2-1-3-10(11)12(18)14(9-17)5-7-19-8-6-14/h1-4,12-13,18H,5-9,17H2
InChIKeyVMOQRXYUTQMMIN-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.08
Rot. Bonds5

About [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol

[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol (PubChem CID 79135068) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
PubChem CID79135068
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
SMILESNCC1(C(O)c2ccccc2OC(F)F)CCOCC1
InChIInChI=1S/C14H19F2NO3/c15-13(16)20-11-4-2-1-3-10(11)12(18)14(9-17)5-7-19-8-6-14/h1-4,12-13,18H,5-9,17H2
InChIKeyVMOQRXYUTQMMIN-UHFFFAOYSA-N
XLogP2.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
CID 79126013
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol (CID 79135068) is [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol is NCC1(C(O)c2ccccc2OC(F)F)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol?
The InChIKey is VMOQRXYUTQMMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-13(16)20-11-4-2-1-3-10(11)12(18)14(9-17)5-7-19-8-6-14/h1-4,12-13,18H,5-9,17H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol?
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol has a molecular weight of 287.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 79135068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).