3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol

C15H19NOS — CID 65189679

IUPAC3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccs2)cc1C
InChIInChI=1S/C15H19NOS/c1-10-5-6-12(8-11(10)2)13(9-16)15(17)14-4-3-7-18-14/h3-8,13,15,17H,9,16H2,1-2H3
InChIKeyFSSMWFLRAGGCGI-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol

3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 65189679) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID65189679
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccs2)cc1C
InChIInChI=1S/C15H19NOS/c1-10-5-6-12(8-11(10)2)13(9-16)15(17)14-4-3-7-18-14/h3-8,13,15,17H,9,16H2,1-2H3
InChIKeyFSSMWFLRAGGCGI-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81128110
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
CID 65189566
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol (CID 65189679) is 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol is Cc1ccc(C(CN)C(O)c2cccs2)cc1C.
What is the InChIKey of 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is FSSMWFLRAGGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-5-6-12(8-11(10)2)13(9-16)15(17)14-4-3-7-18-14/h3-8,13,15,17H,9,16H2,1-2H3.
What are the key properties of 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol?
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65189679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).