6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO2 — CID 55109039

IUPAC6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc2c(cc1OCC)C(NC)CCC2
InChIInChI=1S/C15H23NO2/c1-4-17-14-9-11-7-6-8-13(16-3)12(11)10-15(14)18-5-2/h9-10,13,16H,4-8H2,1-3H3
InChIKeyVWVGPGODOHGAEQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.08
Rot. Bonds5

About 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 55109039) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID55109039
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc2c(cc1OCC)C(NC)CCC2
InChIInChI=1S/C15H23NO2/c1-4-17-14-9-11-7-6-8-13(16-3)12(11)10-15(14)18-5-2/h9-10,13,16H,4-8H2,1-3H3
InChIKeyVWVGPGODOHGAEQ-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027305
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737088
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
CID 140546210
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 55109039) is 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1cc2c(cc1OCC)C(NC)CCC2.
What is the InChIKey of 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VWVGPGODOHGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-17-14-9-11-7-6-8-13(16-3)12(11)10-15(14)18-5-2/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 55109039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).