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

C11H15NO — CID 595742

IUPAC3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(cc1N)CCCC2
InChIInChI=1S/C11H15NO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h6-7H,2-5,12H2,1H3
InChIKeySQHFUZXUDPRJLI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.16
Rot. Bonds1

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

3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 595742) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID595742
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(cc1N)CCCC2
InChIInChI=1S/C11H15NO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h6-7H,2-5,12H2,1H3
InChIKeySQHFUZXUDPRJLI-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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?
The IUPAC name of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine (CID 595742) is 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine is COc1cc2c(cc1N)CCCC2.
What is the InChIKey of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is SQHFUZXUDPRJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h6-7H,2-5,12H2,1H3.
What are the key properties of 3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine?
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 177.25 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 595742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).