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

C22H31NOS — CID 110181925

IUPAC2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1cccs1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H31NOS/c1-17(22(24)19-11-6-3-7-12-19)23-15-14-20(21-13-8-16-25-21)18-9-4-2-5-10-18/h3,6-8,11-13,16-18,20,22-24H,2,4-5,9-10,14-15H2,1H3
InChIKeyVOLXUIKPKQXWAF-UHFFFAOYSA-N
MW357.56 g/mol
LogP5.51
Rot. Bonds8

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

2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol (PubChem CID 110181925) has the molecular formula C22H31NOS and a molecular weight of 357.56 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol
PubChem CID110181925
Molecular FormulaC22H31NOS
Molecular Weight357.56 g/mol
Exact Mass357.21
IUPAC Name2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol
SMILESCC(NCCC(c1cccs1)C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C22H31NOS/c1-17(22(24)19-11-6-3-7-12-19)23-15-14-20(21-13-8-16-25-21)18-9-4-2-5-10-18/h3,6-8,11-13,16-18,20,22-24H,2,4-5,9-10,14-15H2,1H3
InChIKeyVOLXUIKPKQXWAF-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-cyclohexyl-3-thiophen-3-ylpropyl)amino]-1-phenylpropan-1-ol
CID 110181926
(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
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
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-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
2-[1-cyclopentyl-2-(4-phenylphenyl)ethyl]thiophene
CID 57261701
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol (CID 110181925) is 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol is CC(NCCC(c1cccs1)C1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol?
The InChIKey is VOLXUIKPKQXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOS/c1-17(22(24)19-11-6-3-7-12-19)23-15-14-20(21-13-8-16-25-21)18-9-4-2-5-10-18/h3,6-8,11-13,16-18,20,22-24H,2,4-5,9-10,14-15H2,1H3.
What are the key properties of 2-[(3-cyclohexyl-3-thiophen-2-ylpropyl)amino]-1-phenylpropan-1-ol?
2-[(3-cyclohexyl-3-thiophen-2-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-2-ylpropyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110181925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).