(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol

C17H21NO2 — CID 103784104

IUPAC(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(14-8-10-16(20-2)11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3/t13?,17-/m1/s1
InChIKeyGARXVDDJDUFUII-LRHAYUFXSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds6

About (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol

(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol (PubChem CID 103784104) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
PubChem CID103784104
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(14-8-10-16(20-2)11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3/t13?,17-/m1/s1
InChIKeyGARXVDDJDUFUII-LRHAYUFXSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol (CID 103784104) is (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol is COc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol?
The InChIKey is GARXVDDJDUFUII-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(14-8-10-16(20-2)11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3/t13?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol has a molecular weight of 271.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).