1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine

C18H22N2S — CID 170864486

IUPAC1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc2sc3ccc(CC(C)N)cc3c2c1
InChIInChI=1S/C18H22N2S/c1-11(19)7-13-3-5-17-15(9-13)16-10-14(8-12(2)20)4-6-18(16)21-17/h3-6,9-12H,7-8,19-20H2,1-2H3
InChIKeyYOJPKHHKRQYQGK-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.83
Rot. Bonds4

About 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine

1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine (PubChem CID 170864486) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
PubChem CID170864486
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc2sc3ccc(CC(C)N)cc3c2c1
InChIInChI=1S/C18H22N2S/c1-11(19)7-13-3-5-17-15(9-13)16-10-14(8-12(2)20)4-6-18(16)21-17/h3-6,9-12H,7-8,19-20H2,1-2H3
InChIKeyYOJPKHHKRQYQGK-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine?
The IUPAC name of 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine (CID 170864486) is 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine.
What is the SMILES notation for 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine?
The canonical SMILES for 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine is CC(N)Cc1ccc2sc3ccc(CC(C)N)cc3c2c1.
What is the InChIKey of 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine?
The InChIKey is YOJPKHHKRQYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-11(19)7-13-3-5-17-15(9-13)16-10-14(8-12(2)20)4-6-18(16)21-17/h3-6,9-12H,7-8,19-20H2,1-2H3.
What are the key properties of 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine?
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine has a molecular weight of 298.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine is sourced from PubChem (CID 170864486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).