3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol

C21H19NOS — CID 20572924

IUPAC3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C21H19NOS/c22-13-18(23)21(14-6-2-1-3-7-14)15-10-11-20-17(12-15)16-8-4-5-9-19(16)24-20/h1-12,18,21,23H,13,22H2
InChIKeyVMFFOKJMCOLSJW-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.51
Rot. Bonds4

About 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol

3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol (PubChem CID 20572924) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol
PubChem CID20572924
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol
SMILESNCC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C21H19NOS/c22-13-18(23)21(14-6-2-1-3-7-14)15-10-11-20-17(12-15)16-8-4-5-9-19(16)24-20/h1-12,18,21,23H,13,22H2
InChIKeyVMFFOKJMCOLSJW-UHFFFAOYSA-N
XLogP4.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzothiophen-2-yl-3-(diethylamino)-1-phenylpropan-2-ol
CID 154353571
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
dibenzothiophene;methane
CID 162233710
[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
CID 135080491
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
bis(dibenzothiophene);ethane
CID 143921746
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
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
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol?
The IUPAC name of 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol (CID 20572924) is 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol.
What is the SMILES notation for 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol?
The canonical SMILES for 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol is NCC(O)C(c1ccccc1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol?
The InChIKey is VMFFOKJMCOLSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c22-13-18(23)21(14-6-2-1-3-7-14)15-10-11-20-17(12-15)16-8-4-5-9-19(16)24-20/h1-12,18,21,23H,13,22H2.
What are the key properties of 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol?
3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol has a molecular weight of 333.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-dibenzothiophen-2-yl-1-phenylpropan-2-ol is sourced from PubChem (CID 20572924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).