2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride

C12H20ClNO — CID 3064400

IUPAC2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(CCN(C)C)cc1C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-10-9-11(7-8-13(2)3)5-6-12(10)14-4;/h5-6,9H,7-8H2,1-4H3;1H
InChIKeyOFALENWRZMFOPJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride

2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 3064400) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride
PubChem CID3064400
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(CCN(C)C)cc1C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-10-9-11(7-8-13(2)3)5-6-12(10)14-4;/h5-6,9H,7-8H2,1-4H3;1H
InChIKeyOFALENWRZMFOPJ-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride (CID 3064400) is 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride is COc1ccc(CCN(C)C)cc1C.Cl.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is OFALENWRZMFOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-10-9-11(7-8-13(2)3)5-6-12(10)14-4;/h5-6,9H,7-8H2,1-4H3;1H.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride?
2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3064400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).