2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol

C22H31NOS — CID 110181926

IUPAC2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1ccsc1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H31NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-11,13,15-18,21-24H,2,4-5,8-9,12,14H2,1H3
InChIKeyOQAPRGGKGLSUMY-UHFFFAOYSA-N
MW357.56 g/mol
LogP5.51
Rot. Bonds8

About 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol

2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol (PubChem CID 110181926) has the molecular formula C22H31NOS and a molecular weight of 357.56 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol
PubChem CID110181926
Molecular FormulaC22H31NOS
Molecular Weight357.56 g/mol
Exact Mass357.21
IUPAC Name2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1ccsc1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H31NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-11,13,15-18,21-24H,2,4-5,8-9,12,14H2,1H3
InChIKeyOQAPRGGKGLSUMY-UHFFFAOYSA-N
XLogP5.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol
CID 110178083
2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol
CID 110181925
2-[[(Z)-3-cyclohexyl-3-thiophen-3-ylprop-2-enyl]amino]-1-phenylpropan-1-ol
CID 110181698
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol (CID 110181926) is 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol is CC(NCCC(c1ccsc1)C1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol?
The InChIKey is OQAPRGGKGLSUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOS/c1-17(22(24)19-10-6-3-7-11-19)23-14-12-21(20-13-15-25-16-20)18-8-4-2-5-9-18/h3,6-7,10-11,13,15-18,21-24H,2,4-5,8-9,12,14H2,1H3.
What are the key properties of 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol?
2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol has a molecular weight of 357.56 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110181926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).