2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H16ClNS — CID 64619137

IUPAC2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1Sc1ccccc1Cl
InChIInChI=1S/C16H16ClNS/c1-18-16-12-7-3-2-6-11(12)10-15(16)19-14-9-5-4-8-13(14)17/h2-9,15-16,18H,10H2,1H3
InChIKeyMTOLYFAJDZEZFK-UHFFFAOYSA-N
MW289.83 g/mol
LogP4.32
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64619137) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64619137
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1Sc1ccccc1Cl
InChIInChI=1S/C16H16ClNS/c1-18-16-12-7-3-2-6-11(12)10-15(16)19-14-9-5-4-8-13(14)17/h2-9,15-16,18H,10H2,1H3
InChIKeyMTOLYFAJDZEZFK-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 64619137) is 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MTOLYFAJDZEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNS/c1-18-16-12-7-3-2-6-11(12)10-15(16)19-14-9-5-4-8-13(14)17/h2-9,15-16,18H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64619137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).