4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol

C14H20FNO3 — CID 78928791

IUPAC4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(CNCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3/c1-18-13-3-2-11(8-12(13)15)9-16-10-14(17)4-6-19-7-5-14/h2-3,8,16-17H,4-7,9-10H2,1H3
InChIKeyKYAIVWFSXHUZET-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.47
Rot. Bonds5

About 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol

4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol (PubChem CID 78928791) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
PubChem CID78928791
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(CNCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3/c1-18-13-3-2-11(8-12(13)15)9-16-10-14(17)4-6-19-7-5-14/h2-3,8,16-17H,4-7,9-10H2,1H3
InChIKeyKYAIVWFSXHUZET-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxane-4-carboxamide
CID 71972857
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
4-[[(3-fluoro-4-nitrophenyl)methylamino]methyl]oxan-4-ol
CID 81130281
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol (CID 78928791) is 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol is COc1ccc(CNCC2(O)CCOCC2)cc1F.
What is the InChIKey of 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is KYAIVWFSXHUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-18-13-3-2-11(8-12(13)15)9-16-10-14(17)4-6-19-7-5-14/h2-3,8,16-17H,4-7,9-10H2,1H3.
What are the key properties of 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol?
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 269.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78928791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).