(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol

C14H17NOS — CID 86799455

IUPAC(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H17NOS/c16-11-13(9-12-5-2-1-3-6-12)15-10-14-7-4-8-17-14/h1-8,13,15-16H,9-11H2/t13-/m1/s1
InChIKeyIXTDVPVBHOQIHG-CYBMUJFWSA-N
MW247.36 g/mol
LogP2.44
Rot. Bonds6

About (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol

(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 86799455) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID86799455
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H17NOS/c16-11-13(9-12-5-2-1-3-6-12)15-10-14-7-4-8-17-14/h1-8,13,15-16H,9-11H2/t13-/m1/s1
InChIKeyIXTDVPVBHOQIHG-CYBMUJFWSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol (CID 86799455) is (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol is OC[C@@H](Cc1ccccc1)NCc1cccs1.
What is the InChIKey of (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is IXTDVPVBHOQIHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NOS/c16-11-13(9-12-5-2-1-3-6-12)15-10-14-7-4-8-17-14/h1-8,13,15-16H,9-11H2/t13-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
(2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 86799455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).