6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H23NOS — CID 107269775

IUPAC6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1(SC)CCC1)CC2
InChIInChI=1S/C16H23NOS/c1-18-13-6-4-12-5-7-15(14(12)10-13)17-11-16(19-2)8-3-9-16/h4,6,10,15,17H,3,5,7-9,11H2,1-2H3
InChIKeyXLQYUMAWDUVGET-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.56
Rot. Bonds5

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

6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107269775) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID107269775
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1(SC)CCC1)CC2
InChIInChI=1S/C16H23NOS/c1-18-13-6-4-12-5-7-15(14(12)10-13)17-11-16(19-2)8-3-9-16/h4,6,10,15,17H,3,5,7-9,11H2,1-2H3
InChIKeyXLQYUMAWDUVGET-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97101812
1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79370226
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367150
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
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
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 107269775) is 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC1(SC)CCC1)CC2.
What is the InChIKey of 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XLQYUMAWDUVGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-18-13-6-4-12-5-7-15(14(12)10-13)17-11-16(19-2)8-3-9-16/h4,6,10,15,17H,3,5,7-9,11H2,1-2H3.
What are the key properties of 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107269775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).