1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol

C16H21NO2S — CID 3490148

IUPAC1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)Cc2cccs2)c1
InChIInChI=1S/C16H21NO2S/c1-13-5-3-6-15(9-13)19-12-14(18)10-17(2)11-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3
InChIKeyOKHQLRICTAUOBV-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds7

About 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol

1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 3490148) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID3490148
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)Cc2cccs2)c1
InChIInChI=1S/C16H21NO2S/c1-13-5-3-6-15(9-13)19-12-14(18)10-17(2)11-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3
InChIKeyOKHQLRICTAUOBV-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110936166
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 110904600
1-ethyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260050
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 3490148) is 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is Cc1cccc(OCC(O)CN(C)Cc2cccs2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is OKHQLRICTAUOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-13-5-3-6-15(9-13)19-12-14(18)10-17(2)11-16-7-4-8-20-16/h3-9,14,18H,10-12H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 3490148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).