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

C16H24FNO3 — CID 63747607

IUPAC[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
SMILESCOc1ccc(CN(C)CC2(CO)CCCOC2)cc1F
InChIInChI=1S/C16H24FNO3/c1-18(10-16(11-19)6-3-7-21-12-16)9-13-4-5-15(20-2)14(17)8-13/h4-5,8,19H,3,6-7,9-12H2,1-2H3
InChIKeyGFCATJDGVKJXFD-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.06
Rot. Bonds6

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

[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol (PubChem CID 63747607) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
PubChem CID63747607
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
SMILESCOc1ccc(CN(C)CC2(CO)CCCOC2)cc1F
InChIInChI=1S/C16H24FNO3/c1-18(10-16(11-19)6-3-7-21-12-16)9-13-4-5-15(20-2)14(17)8-13/h4-5,8,19H,3,6-7,9-12H2,1-2H3
InChIKeyGFCATJDGVKJXFD-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol with MolForge

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Related Compounds

[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
[1-[[(4-ethoxy-3-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243556
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115249490
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667
[3-[(N-ethyl-2-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63747442
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol (CID 63747607) is [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol is COc1ccc(CN(C)CC2(CO)CCCOC2)cc1F.
What is the InChIKey of [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol?
The InChIKey is GFCATJDGVKJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-18(10-16(11-19)6-3-7-21-12-16)9-13-4-5-15(20-2)14(17)8-13/h4-5,8,19H,3,6-7,9-12H2,1-2H3.
What are the key properties of [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol?
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol has a molecular weight of 297.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63747607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).