2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine

C18H21NS — CID 82820959

IUPAC2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
SMILESCSc1ccc(NC2c3ccccc3CC2(C)C)cc1
InChIInChI=1S/C18H21NS/c1-18(2)12-13-6-4-5-7-16(13)17(18)19-14-8-10-15(20-3)11-9-14/h4-11,17,19H,12H2,1-3H3
InChIKeyMMUPMGNOYOFDBY-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.14
Rot. Bonds3

About 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine

2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine (PubChem CID 82820959) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
PubChem CID82820959
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
SMILESCSc1ccc(NC2c3ccccc3CC2(C)C)cc1
InChIInChI=1S/C18H21NS/c1-18(2)12-13-6-4-5-7-16(13)17(18)19-14-8-10-15(20-3)11-9-14/h4-11,17,19H,12H2,1-3H3
InChIKeyMMUPMGNOYOFDBY-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine (CID 82820959) is 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine is CSc1ccc(NC2c3ccccc3CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine?
The InChIKey is MMUPMGNOYOFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-18(2)12-13-6-4-5-7-16(13)17(18)19-14-8-10-15(20-3)11-9-14/h4-11,17,19H,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine has a molecular weight of 283.44 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82820959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).