(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol

C17H20FNO — CID 63371105

IUPAC(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(C)c1)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C17H20FNO/c1-4-19(14-8-5-7-12(2)11-14)16-10-6-9-15(18)17(16)13(3)20/h5-11,13,20H,4H2,1-3H3/t13-/m1/s1
InChIKeyDOKDREWSKKDWBJ-CYBMUJFWSA-N
MW273.35 g/mol
LogP4.35
Rot. Bonds4

About (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol

(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol (PubChem CID 63371105) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
PubChem CID63371105
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(C)c1)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C17H20FNO/c1-4-19(14-8-5-7-12(2)11-14)16-10-6-9-15(18)17(16)13(3)20/h5-11,13,20H,4H2,1-3H3/t13-/m1/s1
InChIKeyDOKDREWSKKDWBJ-CYBMUJFWSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
CID 79512628
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol (CID 63371105) is (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol is CCN(c1cccc(C)c1)c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol?
The InChIKey is DOKDREWSKKDWBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19(14-8-5-7-12(2)11-14)16-10-6-9-15(18)17(16)13(3)20/h5-11,13,20H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol?
(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol has a molecular weight of 273.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol is sourced from PubChem (CID 63371105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).