N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride

C10H16ClNO — CID 119031736

IUPACN-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride
SMILESCONC(C)c1ccccc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-6-4-5-7-10(8)9(2)11-12-3;/h4-7,9,11H,1-3H3;1H
InChIKeyJTKKMCALENXFQA-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.63
Rot. Bonds3

About N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride

N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride (PubChem CID 119031736) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride
PubChem CID119031736
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride
SMILESCONC(C)c1ccccc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-6-4-5-7-10(8)9(2)11-12-3;/h4-7,9,11H,1-3H3;1H
InChIKeyJTKKMCALENXFQA-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride (CID 119031736) is N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride is CONC(C)c1ccccc1C.Cl.
What is the InChIKey of N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is JTKKMCALENXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8-6-4-5-7-10(8)9(2)11-12-3;/h4-7,9,11H,1-3H3;1H.
What are the key properties of N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride?
N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 119031736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).