5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H17NO — CID 12581154

IUPAC5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-5,10,13H,6-8H2,1-2H3
InChIKeyVBJJOYHRWXQNFV-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.77
Rot. Bonds2

About 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12581154) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12581154
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-5,10,13H,6-8H2,1-2H3
InChIKeyVBJJOYHRWXQNFV-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12581154) is 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CNC1CCc2c(cccc2OC)C1.
What is the InChIKey of 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VBJJOYHRWXQNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-5,10,13H,6-8H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12581154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).