(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol

C17H20FNO — CID 103784026

IUPAC(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
SMILESCc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12-8-9-15(10-16(12)18)13(2)19-17(11-20)14-6-4-3-5-7-14/h3-10,13,17,19-20H,11H2,1-2H3/t13?,17-/m1/s1
InChIKeyAKLPIUFYJNEJDV-LRHAYUFXSA-N
MW273.35 g/mol
LogP3.52
Rot. Bonds5

About (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol

(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol (PubChem CID 103784026) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
PubChem CID103784026
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
SMILESCc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12-8-9-15(10-16(12)18)13(2)19-17(11-20)14-6-4-3-5-7-14/h3-10,13,17,19-20H,11H2,1-2H3/t13?,17-/m1/s1
InChIKeyAKLPIUFYJNEJDV-LRHAYUFXSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
CID 175168878
(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol (CID 103784026) is (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol is Cc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol?
The InChIKey is AKLPIUFYJNEJDV-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-8-9-15(10-16(12)18)13(2)19-17(11-20)14-6-4-3-5-7-14/h3-10,13,17,19-20H,11H2,1-2H3/t13?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol has a molecular weight of 273.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).