(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol

C17H20FNO — CID 78939923

IUPAC(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
SMILESCc1cccc(CN(C)c2ccc(F)cc2[C@H](C)O)c1
InChIInChI=1S/C17H20FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(18)10-16(17)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m0/s1
InChIKeyXFXDSLLHHAGVMS-ZDUSSCGKSA-N
MW273.35 g/mol
LogP3.82
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol

(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol (PubChem CID 78939923) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
PubChem CID78939923
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
SMILESCc1cccc(CN(C)c2ccc(F)cc2[C@H](C)O)c1
InChIInChI=1S/C17H20FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(18)10-16(17)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m0/s1
InChIKeyXFXDSLLHHAGVMS-ZDUSSCGKSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol (CID 78939923) is (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol is Cc1cccc(CN(C)c2ccc(F)cc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol?
The InChIKey is XFXDSLLHHAGVMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(18)10-16(17)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol has a molecular weight of 273.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 78939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).