3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide

C11H16BrNO — CID 170999674

IUPAC3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.COc1cc2c(cc1N)CCCC2
InChIInChI=1S/C11H15NO.BrH/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12;/h6-7H,2-5,12H2,1H3;1H
InChIKeyATVNOXMNEDTLJY-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.73
Rot. Bonds1

About 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide

3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide (PubChem CID 170999674) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide.

Molecular Properties

Compound Name3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
PubChem CID170999674
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.COc1cc2c(cc1N)CCCC2
InChIInChI=1S/C11H15NO.BrH/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12;/h6-7H,2-5,12H2,1H3;1H
InChIKeyATVNOXMNEDTLJY-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide?
The IUPAC name of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide (CID 170999674) is 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide.
What is the SMILES notation for 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide?
The canonical SMILES for 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide is Br.COc1cc2c(cc1N)CCCC2.
What is the InChIKey of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide?
The InChIKey is ATVNOXMNEDTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.BrH/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12;/h6-7H,2-5,12H2,1H3;1H.
What are the key properties of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide?
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide has a molecular weight of 258.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide is sourced from PubChem (CID 170999674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).