3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol

C13H15NOS — CID 170875139

IUPAC3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
SMILESNC(CCO)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c14-12(7-8-15)10-3-5-11(6-4-10)13-2-1-9-16-13/h1-6,9,12,15H,7-8,14H2
InChIKeyULYWEQQSTLQAJS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol

3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol (PubChem CID 170875139) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
PubChem CID170875139
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
SMILESNC(CCO)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c14-12(7-8-15)10-3-5-11(6-4-10)13-2-1-9-16-13/h1-6,9,12,15H,7-8,14H2
InChIKeyULYWEQQSTLQAJS-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-thiophen-2-ylphenyl)ethanol
CID 66514267
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170875213
(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol
CID 130885597

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol (CID 170875139) is 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol is NC(CCO)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol?
The InChIKey is ULYWEQQSTLQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c14-12(7-8-15)10-3-5-11(6-4-10)13-2-1-9-16-13/h1-6,9,12,15H,7-8,14H2.
What are the key properties of 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol?
3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 170875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).