3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine

C14H23NO2 — CID 116835676

IUPAC3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
SMILESCOCC(CN)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-6-10(2)13(12(7-15)8-16-4)14(17-5)11(9)3/h6,12H,7-8,15H2,1-5H3
InChIKeyHGWNIPWXUHQEOR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.31
Rot. Bonds5

About 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine

3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine (PubChem CID 116835676) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
PubChem CID116835676
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
SMILESCOCC(CN)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-6-10(2)13(12(7-15)8-16-4)14(17-5)11(9)3/h6,12H,7-8,15H2,1-5H3
InChIKeyHGWNIPWXUHQEOR-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628
[1-(aminomethyl)cyclobutyl]-(2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116943909
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine (CID 116835676) is 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine is COCC(CN)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is HGWNIPWXUHQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-6-10(2)13(12(7-15)8-16-4)14(17-5)11(9)3/h6,12H,7-8,15H2,1-5H3.
What are the key properties of 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine?
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 116835676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).