3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol

C15H24FNO2 — CID 106115405

IUPAC3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cccc(OC)c1F
InChIInChI=1S/C15H24FNO2/c1-3-5-12(8-9-18)10-17-11-13-6-4-7-14(19-2)15(13)16/h4,6-7,12,17-18H,3,5,8-11H2,1-2H3
InChIKeyVGORMMXRYUZOSO-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.72
Rot. Bonds9

About 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol

3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol (PubChem CID 106115405) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
PubChem CID106115405
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cccc(OC)c1F
InChIInChI=1S/C15H24FNO2/c1-3-5-12(8-9-18)10-17-11-13-6-4-7-14(19-2)15(13)16/h4,6-7,12,17-18H,3,5,8-11H2,1-2H3
InChIKeyVGORMMXRYUZOSO-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
CID 103707845
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 104794616
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol (CID 106115405) is 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cccc(OC)c1F.
What is the InChIKey of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is VGORMMXRYUZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-5-12(8-9-18)10-17-11-13-6-4-7-14(19-2)15(13)16/h4,6-7,12,17-18H,3,5,8-11H2,1-2H3.
What are the key properties of 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol?
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 106115405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).