(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol

C20H21NO2S — CID 8621628

IUPAC(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
SMILESO[C@H](CNCc1ccc(OCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/t20-/m1/s1
InChIKeyKJAXDZIHVZMEGA-HXUWFJFHSA-N
MW339.46 g/mol
LogP4.15
Rot. Bonds8

About (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol

(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol (PubChem CID 8621628) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
PubChem CID8621628
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
SMILESO[C@H](CNCc1ccc(OCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/t20-/m1/s1
InChIKeyKJAXDZIHVZMEGA-HXUWFJFHSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol with MolForge

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Related Compounds

1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989098
4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
CID 25178168
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol (CID 8621628) is (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol is O[C@H](CNCc1ccc(OCc2cccs2)cc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol?
The InChIKey is KJAXDZIHVZMEGA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/t20-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol?
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol has a molecular weight of 339.46 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 8621628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).