1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol

C25H27NOS — CID 154353571

IUPAC1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol
SMILESCCN(CC)CC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C25H27NOS/c1-3-26(4-2)17-22(27)25(18-10-6-5-7-11-18)19-14-15-24-21(16-19)20-12-8-9-13-23(20)28-24/h5-16,22,25,27H,3-4,17H2,1-2H3
InChIKeyUOQGEZSXWGBKNP-UHFFFAOYSA-N
MW389.56 g/mol
LogP5.89
Rot. Bonds7

About 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol

1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol (PubChem CID 154353571) has the molecular formula C25H27NOS and a molecular weight of 389.56 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol
PubChem CID154353571
Molecular FormulaC25H27NOS
Molecular Weight389.56 g/mol
Exact Mass389.18
IUPAC Name1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol
SMILESCCN(CC)CC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C25H27NOS/c1-3-26(4-2)17-22(27)25(18-10-6-5-7-11-18)19-14-15-24-21(16-19)20-12-8-9-13-23(20)28-24/h5-16,22,25,27H,3-4,17H2,1-2H3
InChIKeyUOQGEZSXWGBKNP-UHFFFAOYSA-N
XLogP5.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol
CID 20572924
bis(dibenzothiophene);ethane
CID 143921746
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392916
3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
CID 20572805
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol (CID 154353571) is 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol is CCN(CC)CC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol?
The InChIKey is UOQGEZSXWGBKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NOS/c1-3-26(4-2)17-22(27)25(18-10-6-5-7-11-18)19-14-15-24-21(16-19)20-12-8-9-13-23(20)28-24/h5-16,22,25,27H,3-4,17H2,1-2H3.
What are the key properties of 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol?
1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol has a molecular weight of 389.56 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 154353571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).