(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol

C14H17NOS — CID 10220540

IUPAC(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESC[C@@H](NCc1cccs1)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H17NOS/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3/t11-,14-/m1/s1
InChIKeyVUBUIPNYRJGLNP-BXUZGUMPSA-N
MW247.36 g/mol
LogP2.96
Rot. Bonds5

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

(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 10220540) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID10220540
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESC[C@@H](NCc1cccs1)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H17NOS/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3/t11-,14-/m1/s1
InChIKeyVUBUIPNYRJGLNP-BXUZGUMPSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17331742
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
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1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol (CID 10220540) is (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol is C[C@@H](NCc1cccs1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is VUBUIPNYRJGLNP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 10220540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).