3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol

C12H17F2NO2 — CID 113359747

IUPAC3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
SMILESCOCCC(N)CC(O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO2/c1-17-6-5-8(15)7-11(16)12-9(13)3-2-4-10(12)14/h2-4,8,11,16H,5-7,15H2,1H3
InChIKeyGOZAEIHLAIKGPY-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.75
Rot. Bonds6

About 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol

3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol (PubChem CID 113359747) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
PubChem CID113359747
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol
SMILESCOCCC(N)CC(O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO2/c1-17-6-5-8(15)7-11(16)12-9(13)3-2-4-10(12)14/h2-4,8,11,16H,5-7,15H2,1H3
InChIKeyGOZAEIHLAIKGPY-UHFFFAOYSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103967406
3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
(1R,3S)-3-amino-1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171236754
(1R,3R)-3-amino-1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237671
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-(2,6-difluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103219
3-amino-1-(2,4-dichlorophenyl)-5-methoxypentan-1-ol
CID 113359746
(1S,3S)-3-amino-1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237213
3-amino-5-methoxy-1-(4-propylphenyl)pentan-1-ol
CID 103967383
1-(2,6-difluorophenyl)-4-methoxy-3-methylbutan-1-amine
CID 105149316

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol?
The IUPAC name of 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol (CID 113359747) is 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol?
The canonical SMILES for 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol is COCCC(N)CC(O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol?
The InChIKey is GOZAEIHLAIKGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-17-6-5-8(15)7-11(16)12-9(13)3-2-4-10(12)14/h2-4,8,11,16H,5-7,15H2,1H3.
What are the key properties of 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol?
3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-difluorophenyl)-5-methoxypentan-1-ol is sourced from PubChem (CID 113359747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).