2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride

C15H20ClNO — CID 19086045

IUPAC2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc2cccc(CCN(C)C)c2c1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-16(2)10-9-13-6-4-5-12-7-8-14(17-3)11-15(12)13;/h4-8,11H,9-10H2,1-3H3;1H
InChIKeyYMBAHGUOLOPWMF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.37
Rot. Bonds4

About 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride

2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 19086045) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride
PubChem CID19086045
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc2cccc(CCN(C)C)c2c1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-16(2)10-9-13-6-4-5-12-7-8-14(17-3)11-15(12)13;/h4-8,11H,9-10H2,1-3H3;1H
InChIKeyYMBAHGUOLOPWMF-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride (CID 19086045) is 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride is COc1ccc2cccc(CCN(C)C)c2c1.Cl.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is YMBAHGUOLOPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-16(2)10-9-13-6-4-5-12-7-8-14(17-3)11-15(12)13;/h4-8,11H,9-10H2,1-3H3;1H.
What are the key properties of 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride?
2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 19086045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).