1-(3,4-dimethoxyphenyl)-N-methylmethanamine

C10H15NO2 — CID 592161

IUPAC1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)10(6-8)13-3/h4-6,11H,7H2,1-3H3
InChIKeyXQODFBIAQVJQHF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.42
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-N-methylmethanamine

1-(3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 592161) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID592161
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)10(6-8)13-3/h4-6,11H,7H2,1-3H3
InChIKeyXQODFBIAQVJQHF-UHFFFAOYSA-N
XLogP1.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Homoveratrylamine
CID 8421
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
Vanillylamine
CID 70966
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
CID 15623
4-Methoxybenzylamine
CID 75452
1-Piperonylpiperazine
CID 94426
Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)
CID 165576
Salsolidine
CID 164752
Benzo-1,3-dioxole-5-methylamine
CID 75799
N-Methylhomoveratrylamine
CID 77039
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
3-Methoxybenzylamine
CID 21156

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylmethanamine (CID 592161) is 1-(3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methylmethanamine is CNCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is XQODFBIAQVJQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)10(6-8)13-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
1-(3,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 592161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).