(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol

C12H18FNO2 — CID 107720300

IUPAC(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCN(C)C)cc1F
InChIInChI=1S/C12H18FNO2/c1-9(15)11-5-4-10(8-12(11)13)16-7-6-14(2)3/h4-5,8-9,15H,6-7H2,1-3H3/t9-/m1/s1
InChIKeyAEXGHEYDSUIOKE-SECBINFHSA-N
MW227.28 g/mol
LogP1.82
Rot. Bonds5

About (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol

(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol (PubChem CID 107720300) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
PubChem CID107720300
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCN(C)C)cc1F
InChIInChI=1S/C12H18FNO2/c1-9(15)11-5-4-10(8-12(11)13)16-7-6-14(2)3/h4-5,8-9,15H,6-7H2,1-3H3/t9-/m1/s1
InChIKeyAEXGHEYDSUIOKE-SECBINFHSA-N
XLogP1.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol (CID 107720300) is (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol is C[C@@H](O)c1ccc(OCCN(C)C)cc1F.
What is the InChIKey of (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol?
The InChIKey is AEXGHEYDSUIOKE-SECBINFHSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9(15)11-5-4-10(8-12(11)13)16-7-6-14(2)3/h4-5,8-9,15H,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol?
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107720300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).