8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C16H24ClNO — CID 18331775

IUPAC8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=C(C)CN(C)C1CCc2cccc(OC)c2C1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12(2)11-17(3)14-9-8-13-6-5-7-16(18-4)15(13)10-14;/h5-7,14H,1,8-11H2,2-4H3;1H
InChIKeyURLKBBQFRKNMKU-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.48
Rot. Bonds4

About 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 18331775) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID18331775
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=C(C)CN(C)C1CCc2cccc(OC)c2C1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12(2)11-17(3)14-9-8-13-6-5-7-16(18-4)15(13)10-14;/h5-7,14H,1,8-11H2,2-4H3;1H
InChIKeyURLKBBQFRKNMKU-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 18331775) is 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is C=C(C)CN(C)C1CCc2cccc(OC)c2C1.Cl.
What is the InChIKey of 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is URLKBBQFRKNMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-12(2)11-17(3)14-9-8-13-6-5-7-16(18-4)15(13)10-14;/h5-7,14H,1,8-11H2,2-4H3;1H.
What are the key properties of 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 18331775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).