2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine

C12H19NO4 — CID 66070513

IUPAC2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)OC)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-14-9-6-5-8(10(7-13)15-2)11(16-3)12(9)17-4/h5-6,10H,7,13H2,1-4H3
InChIKeyOURJQSKUQRENFQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.36
Rot. Bonds6

About 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine

2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine (PubChem CID 66070513) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
PubChem CID66070513
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)OC)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-14-9-6-5-8(10(7-13)15-2)11(16-3)12(9)17-4/h5-6,10H,7,13H2,1-4H3
InChIKeyOURJQSKUQRENFQ-UHFFFAOYSA-N
XLogP1.36
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
2-[2-(2,3,4-trimethoxyphenyl)butyl]propane-1,3-diamine
CID 83934049
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
4-(2,3,4-trimethoxyphenyl)pentanenitrile
CID 83934096
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine (CID 66070513) is 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine is COc1ccc(C(CN)OC)c(OC)c1OC.
What is the InChIKey of 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine?
The InChIKey is OURJQSKUQRENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-14-9-6-5-8(10(7-13)15-2)11(16-3)12(9)17-4/h5-6,10H,7,13H2,1-4H3.
What are the key properties of 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine?
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 66070513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).