2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol

C16H21NO2S — CID 103685321

IUPAC2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCC(C)Oc1ccc(CNCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H21NO2S/c1-12(2)19-15-5-3-13(4-6-15)9-17-10-16(18)14-7-8-20-11-14/h3-8,11-12,16-18H,9-10H2,1-2H3
InChIKeyNJFMMDZLPBEHOF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.36
Rot. Bonds7

About 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol

2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103685321) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103685321
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCC(C)Oc1ccc(CNCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H21NO2S/c1-12(2)19-15-5-3-13(4-6-15)9-17-10-16(18)14-7-8-20-11-14/h3-8,11-12,16-18H,9-10H2,1-2H3
InChIKeyNJFMMDZLPBEHOF-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 111467090
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702651
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol (CID 103685321) is 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol is CC(C)Oc1ccc(CNCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is NJFMMDZLPBEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(2)19-15-5-3-13(4-6-15)9-17-10-16(18)14-7-8-20-11-14/h3-8,11-12,16-18H,9-10H2,1-2H3.
What are the key properties of 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol?
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 291.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103685321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).