8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21NOS — CID 12924807

IUPAC8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(SC)c2c1CC(N(C)C)CC2
InChIInChI=1S/C14H21NOS/c1-15(2)10-5-6-11-12(9-10)13(16-3)7-8-14(11)17-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyQWRGGAVMFIBUMX-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.84
Rot. Bonds3

About 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12924807) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12924807
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(SC)c2c1CC(N(C)C)CC2
InChIInChI=1S/C14H21NOS/c1-15(2)10-5-6-11-12(9-10)13(16-3)7-8-14(11)17-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyQWRGGAVMFIBUMX-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12924807) is 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(SC)c2c1CC(N(C)C)CC2.
What is the InChIKey of 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is QWRGGAVMFIBUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-15(2)10-5-6-11-12(9-10)13(16-3)7-8-14(11)17-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 251.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12924807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).