1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine

C14H21NO — CID 105474792

IUPAC1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H21NO/c1-10(15-2)11-7-8-13-12(9-11)5-4-6-14(13)16-3/h4-6,10-11,15H,7-9H2,1-3H3
InChIKeyJEYNCJRGFNQERW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine

1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine (PubChem CID 105474792) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
PubChem CID105474792
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H21NO/c1-10(15-2)11-7-8-13-12(9-11)5-4-6-14(13)16-3/h4-6,10-11,15H,7-9H2,1-3H3
InChIKeyJEYNCJRGFNQERW-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine (CID 105474792) is 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine is CNC(C)C1CCc2c(cccc2OC)C1.
What is the InChIKey of 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The InChIKey is JEYNCJRGFNQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(15-2)11-7-8-13-12(9-11)5-4-6-14(13)16-3/h4-6,10-11,15H,7-9H2,1-3H3.
What are the key properties of 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105474792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).