1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

C17H23NO2S — CID 60969765

IUPAC1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NO2S/c1-3-14-5-7-16(8-6-14)20-12-15(19)10-18-11-17-9-4-13(2)21-17/h4-9,15,18-19H,3,10-12H2,1-2H3
InChIKeyINRURJGOJLVRIT-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.15
Rot. Bonds8

About 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 60969765) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID60969765
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NO2S/c1-3-14-5-7-16(8-6-14)20-12-15(19)10-18-11-17-9-4-13(2)21-17/h4-9,15,18-19H,3,10-12H2,1-2H3
InChIKeyINRURJGOJLVRIT-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(4-bromophenoxy)-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 60744441
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (CID 60969765) is 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is CCc1ccc(OCC(O)CNCc2ccc(C)s2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is INRURJGOJLVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-14-5-7-16(8-6-14)20-12-15(19)10-18-11-17-9-4-13(2)21-17/h4-9,15,18-19H,3,10-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 60969765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).