3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine

C18H21NS — CID 20572908

IUPAC3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H21NS/c1-3-19-12-13(2)10-14-8-9-18-16(11-14)15-6-4-5-7-17(15)20-18/h4-9,11,13,19H,3,10,12H2,1-2H3
InChIKeyVXSZPEVCBUUPOO-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.84
Rot. Bonds5

About 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine

3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine (PubChem CID 20572908) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
PubChem CID20572908
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H21NS/c1-3-19-12-13(2)10-14-8-9-18-16(11-14)15-6-4-5-7-17(15)20-18/h4-9,11,13,19H,3,10,12H2,1-2H3
InChIKeyVXSZPEVCBUUPOO-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
2-(2-iodo-2-methylpropyl)dibenzothiophene
CID 167162829
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
CID 20573249
2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
3-[4-(2-methylpropyl)phenyl]dibenzothiophene
CID 170134623
4-dibenzothiophen-2-ylbutanal
CID 89173289
2-methyl-8-propyldibenzothiophene
CID 144955696
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
bis(dibenzothiophene);ethane
CID 143921746
diethyl 2-[(9-oxothioxanthen-2-yl)methyl]propanedioate
CID 164913336

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine (CID 20572908) is 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine?
The InChIKey is VXSZPEVCBUUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-19-12-13(2)10-14-8-9-18-16(11-14)15-6-4-5-7-17(15)20-18/h4-9,11,13,19H,3,10,12H2,1-2H3.
What are the key properties of 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine?
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 20572908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).