3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol

C15H24FNO — CID 106881114

IUPAC3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
SMILESCCN(CC)CCC(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-17(6-2)8-7-14(18)15-12(4)9-11(3)10-13(15)16/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDMINEDGODCVBSJ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.21
Rot. Bonds6

About 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol

3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol (PubChem CID 106881114) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
PubChem CID106881114
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
SMILESCCN(CC)CCC(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-17(6-2)8-7-14(18)15-12(4)9-11(3)10-13(15)16/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDMINEDGODCVBSJ-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol (CID 106881114) is 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol is CCN(CC)CCC(O)c1c(C)cc(C)cc1F.
What is the InChIKey of 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol?
The InChIKey is DMINEDGODCVBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-17(6-2)8-7-14(18)15-12(4)9-11(3)10-13(15)16/h9-10,14,18H,5-8H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol?
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 106881114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).