2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine

C15H23NO — CID 130460996

IUPAC2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCOC1=CC=C2C=CC(C)C(CCN)C2(C)C1
InChIInChI=1S/C15H23NO/c1-11-4-5-12-6-7-13(17-3)10-15(12,2)14(11)8-9-16/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyXLTUVDHSCFYXCL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.02
Rot. Bonds3

About 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine

2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine (PubChem CID 130460996) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine
PubChem CID130460996
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCOC1=CC=C2C=CC(C)C(CCN)C2(C)C1
InChIInChI=1S/C15H23NO/c1-11-4-5-12-6-7-13(17-3)10-15(12,2)14(11)8-9-16/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyXLTUVDHSCFYXCL-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine (CID 130460996) is 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine is COC1=CC=C2C=CC(C)C(CCN)C2(C)C1.
What is the InChIKey of 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine?
The InChIKey is XLTUVDHSCFYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-5-12-6-7-13(17-3)10-15(12,2)14(11)8-9-16/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine?
2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine is sourced from PubChem (CID 130460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).