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

C11H15NO — CID 11469395

IUPAC5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(N)C2
InChIInChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3
InChIKeySIHPGAYIYYGOIP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.51
Rot. Bonds1

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

5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 11469395) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID11469395
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CCC(N)C2
InChIInChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3
InChIKeySIHPGAYIYYGOIP-UHFFFAOYSA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 11469395) is 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc2c1CCC(N)C2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SIHPGAYIYYGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 11469395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).