1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine

C13H21NO2 — CID 116914495

IUPAC1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(OC)N(C)C)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-9-10(2)12(15-5)8-7-11(9)13(16-6)14(3)4/h7-8,13H,1-6H3
InChIKeyCJPBLEXSBQTXRC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.52
Rot. Bonds4

About 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine

1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine (PubChem CID 116914495) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
PubChem CID116914495
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(OC)N(C)C)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-9-10(2)12(15-5)8-7-11(9)13(16-6)14(3)4/h7-8,13H,1-6H3
InChIKeyCJPBLEXSBQTXRC-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 58951787
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 112519687
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine (CID 116914495) is 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine is COc1ccc(C(OC)N(C)C)c(C)c1C.
What is the InChIKey of 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine?
The InChIKey is CJPBLEXSBQTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-10(2)12(15-5)8-7-11(9)13(16-6)14(3)4/h7-8,13H,1-6H3.
What are the key properties of 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine?
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116914495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).