6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine

C15H23NOS — CID 79367150

IUPAC6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC(C)CSC)CC2
InChIInChI=1S/C15H23NOS/c1-11(10-18-3)9-16-15-7-5-12-4-6-13(17-2)8-14(12)15/h4,6,8,11,15-16H,5,7,9-10H2,1-3H3
InChIKeyFZUQLQWXOFYMEA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.27
Rot. Bonds6

About 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367150) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79367150
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC(C)CSC)CC2
InChIInChI=1S/C15H23NOS/c1-11(10-18-3)9-16-15-7-5-12-4-6-13(17-2)8-14(12)15/h4,6,8,11,15-16H,5,7,9-10H2,1-3H3
InChIKeyFZUQLQWXOFYMEA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 79367150) is 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC(C)CSC)CC2.
What is the InChIKey of 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FZUQLQWXOFYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(10-18-3)9-16-15-7-5-12-4-6-13(17-2)8-14(12)15/h4,6,8,11,15-16H,5,7,9-10H2,1-3H3.
What are the key properties of 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).