(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol

C16H18FNO2 — CID 78941855

IUPAC(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C16H18FNO2/c1-11(19)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)18(2)3/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeySAHSRTYDXDOFOO-NSHDSACASA-N
MW275.32 g/mol
LogP3.74
Rot. Bonds4

About (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol

(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol (PubChem CID 78941855) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
PubChem CID78941855
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C16H18FNO2/c1-11(19)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)18(2)3/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeySAHSRTYDXDOFOO-NSHDSACASA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229881
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol (CID 78941855) is (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1cccc(N(C)C)c1.
What is the InChIKey of (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol?
The InChIKey is SAHSRTYDXDOFOO-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(19)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)18(2)3/h4-11,19H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol?
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol has a molecular weight of 275.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol is sourced from PubChem (CID 78941855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).