2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol

C20H23NOS2 — CID 110178083

IUPAC2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1ccsc1)c1ccsc1)C(O)c1ccccc1
InChIInChI=1S/C20H23NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-6,8-9,11-15,19-22H,7,10H2,1H3
InChIKeyHBDZWNNIMPDONS-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.04
Rot. Bonds8

About 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol

2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol (PubChem CID 110178083) has the molecular formula C20H23NOS2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol
PubChem CID110178083
Molecular FormulaC20H23NOS2
Molecular Weight357.54 g/mol
Exact Mass357.12
IUPAC Name2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1ccsc1)c1ccsc1)C(O)c1ccccc1
InChIInChI=1S/C20H23NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-6,8-9,11-15,19-22H,7,10H2,1H3
InChIKeyHBDZWNNIMPDONS-UHFFFAOYSA-N
XLogP5.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol
CID 110181926
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol
CID 110181925
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol
CID 110181698
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
4-[2-[4,4-di(thiophen-3-yl)but-3-enylamino]-1-hydroxypropyl]phenol
CID 12864504

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol (CID 110178083) is 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol is CC(NCCC(c1ccsc1)c1ccsc1)C(O)c1ccccc1.
What is the InChIKey of 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol?
The InChIKey is HBDZWNNIMPDONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-6,8-9,11-15,19-22H,7,10H2,1H3.
What are the key properties of 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol?
2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol has a molecular weight of 357.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110178083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).