7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine

C15H23NO3S — CID 79241254

IUPAC7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCCS(C)(=O)=O)CCC2
InChIInChI=1S/C15H23NO3S/c1-19-13-7-6-12-5-3-8-15(16,14(12)11-13)9-4-10-20(2,17)18/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyXKPZUVXWYCGFAE-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.01
Rot. Bonds5

About 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine

7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79241254) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79241254
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCCS(C)(=O)=O)CCC2
InChIInChI=1S/C15H23NO3S/c1-19-13-7-6-12-5-3-8-15(16,14(12)11-13)9-4-10-20(2,17)18/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyXKPZUVXWYCGFAE-UHFFFAOYSA-N
XLogP2.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 79241254) is 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(CCCS(C)(=O)=O)CCC2.
What is the InChIKey of 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is XKPZUVXWYCGFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-13-7-6-12-5-3-8-15(16,14(12)11-13)9-4-10-20(2,17)18/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine?
7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79241254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).