6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H19Cl2NS — CID 106041280

IUPAC6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCc1ccc(Cl)s1
InChIInChI=1S/C17H19Cl2NS/c1-17(2)10-11-3-4-12(18)9-14(11)16(17)20-8-7-13-5-6-15(19)21-13/h3-6,9,16,20H,7-8,10H2,1-2H3
InChIKeyWPZOCWPTKANLOU-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.51
Rot. Bonds4

About 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 106041280) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID106041280
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCc1ccc(Cl)s1
InChIInChI=1S/C17H19Cl2NS/c1-17(2)10-11-3-4-12(18)9-14(11)16(17)20-8-7-13-5-6-15(19)21-13/h3-6,9,16,20H,7-8,10H2,1-2H3
InChIKeyWPZOCWPTKANLOU-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 106041280) is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCc1ccc(Cl)s1.
What is the InChIKey of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is WPZOCWPTKANLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-17(2)10-11-3-4-12(18)9-14(11)16(17)20-8-7-13-5-6-15(19)21-13/h3-6,9,16,20H,7-8,10H2,1-2H3.
What are the key properties of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 340.32 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 106041280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).