2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine

C12H19NO2 — CID 22238091

IUPAC2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3
InChIKeyNFOHGLKGLZIHJQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds4

About 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine (PubChem CID 22238091) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
PubChem CID22238091
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3
InChIKeyNFOHGLKGLZIHJQ-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
CID 117043597
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine (CID 22238091) is 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine is COc1cc(CCN)c(OC)c(C)c1C.
What is the InChIKey of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine?
The InChIKey is NFOHGLKGLZIHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine?
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 22238091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).