8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C13H19Cl2NO — CID 11954263

IUPAC8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCOc1ccc(Cl)c2c1CCCC2N(C)C.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyXYTNPORBXPAQMP-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.71
Rot. Bonds2

About 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 11954263) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID11954263
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCOc1ccc(Cl)c2c1CCCC2N(C)C.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyXYTNPORBXPAQMP-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 11954263) is 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is COc1ccc(Cl)c2c1CCCC2N(C)C.Cl.
What is the InChIKey of 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is XYTNPORBXPAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11;/h7-8,11H,4-6H2,1-3H3;1H.
What are the key properties of 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 11954263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).