2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride

C11H18ClNO2 — CID 17295666

IUPAC2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOCCNCc1cccc(OC)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-13-7-6-12-9-10-4-3-5-11(8-10)14-2;/h3-5,8,12H,6-7,9H2,1-2H3;1H
InChIKeyQPNZPYKEAGYJPR-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.85
Rot. Bonds6

About 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride

2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17295666) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17295666
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOCCNCc1cccc(OC)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-13-7-6-12-9-10-4-3-5-11(8-10)14-2;/h3-5,8,12H,6-7,9H2,1-2H3;1H
InChIKeyQPNZPYKEAGYJPR-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride (CID 17295666) is 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride is COCCNCc1cccc(OC)c1.Cl.
What is the InChIKey of 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is QPNZPYKEAGYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-13-7-6-12-9-10-4-3-5-11(8-10)14-2;/h3-5,8,12H,6-7,9H2,1-2H3;1H.
What are the key properties of 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17295666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).