1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

C17H23NO2S — CID 62839978

IUPAC1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)c2ccsc2)c1
InChIInChI=1S/C17H23NO2S/c1-12-6-13(2)8-17(7-12)20-10-16(19)9-18-14(3)15-4-5-21-11-15/h4-8,11,14,16,18-19H,9-10H2,1-3H3
InChIKeyJPLKFCGOJMEFIG-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.46
Rot. Bonds7

About 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62839978) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62839978
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)c2ccsc2)c1
InChIInChI=1S/C17H23NO2S/c1-12-6-13(2)8-17(7-12)20-10-16(19)9-18-14(3)15-4-5-21-11-15/h4-8,11,14,16,18-19H,9-10H2,1-3H3
InChIKeyJPLKFCGOJMEFIG-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
CID 60632289
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62839978) is 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is Cc1cc(C)cc(OCC(O)CNC(C)c2ccsc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is JPLKFCGOJMEFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12-6-13(2)8-17(7-12)20-10-16(19)9-18-14(3)15-4-5-21-11-15/h4-8,11,14,16,18-19H,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62839978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).