(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol

C17H20FNO — CID 78940866

IUPAC(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
SMILESCc1cc(C)cc(N(C)c2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C17H20FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10,13,20H,1-4H3/t13-/m0/s1
InChIKeyAGOIHDGTNBIZDL-ZDUSSCGKSA-N
MW273.35 g/mol
LogP4.26
Rot. Bonds3

About (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol

(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol (PubChem CID 78940866) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
PubChem CID78940866
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
SMILESCc1cc(C)cc(N(C)c2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C17H20FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10,13,20H,1-4H3/t13-/m0/s1
InChIKeyAGOIHDGTNBIZDL-ZDUSSCGKSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 78940821
(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 63370901
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
CID 79009341
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol (CID 78940866) is (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol is Cc1cc(C)cc(N(C)c2ccc([C@H](C)O)cc2F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol?
The InChIKey is AGOIHDGTNBIZDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10,13,20H,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol?
(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol has a molecular weight of 273.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol is sourced from PubChem (CID 78940866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).