6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine

C16H18ClNS — CID 83067581

IUPAC6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccsc1
InChIInChI=1S/C16H18ClNS/c1-16(2)8-12-3-4-13(17)7-14(12)15(16)18-9-11-5-6-19-10-11/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyFHFPUSQJRPNATE-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.81
Rot. Bonds3

About 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine (PubChem CID 83067581) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
PubChem CID83067581
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccsc1
InChIInChI=1S/C16H18ClNS/c1-16(2)8-12-3-4-13(17)7-14(12)15(16)18-9-11-5-6-19-10-11/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyFHFPUSQJRPNATE-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine (CID 83067581) is 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCc1ccsc1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine?
The InChIKey is FHFPUSQJRPNATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-16(2)8-12-3-4-13(17)7-14(12)15(16)18-9-11-5-6-19-10-11/h3-7,10,15,18H,8-9H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine has a molecular weight of 291.85 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).