2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol

C12H18FNO — CID 106881116

IUPAC2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8-5-9(2)12(10(13)6-8)11(15)7-14(3)4/h5-6,11,15H,7H2,1-4H3
InChIKeyXJYKPSYKMFFOPA-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.04
Rot. Bonds3

About 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol

2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol (PubChem CID 106881116) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
PubChem CID106881116
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8-5-9(2)12(10(13)6-8)11(15)7-14(3)4/h5-6,11,15H,7H2,1-4H3
InChIKeyXJYKPSYKMFFOPA-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
[1-(dimethylamino)cyclopentyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881107
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881082

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol (CID 106881116) is 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol is Cc1cc(C)c(C(O)CN(C)C)c(F)c1.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The InChIKey is XJYKPSYKMFFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8-5-9(2)12(10(13)6-8)11(15)7-14(3)4/h5-6,11,15H,7H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol has a molecular weight of 211.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106881116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).