2-(3,4,5-trimethoxyphenyl)ethanamine

C11H17NO3 — CID 4076

IUPAC2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.21
Rot. Bonds5

About 2-(3,4,5-trimethoxyphenyl)ethanamine

2-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 4076) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID4076
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-N
XLogP1.21
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31014
3,4,5-Trimethoxyamphetamine
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3,4,5-Trimethoxyphenylacetonitrile
CID 25887
3-Methoxy-4,5-methylenedioxyamphetamine
CID 26175
4-Ethoxy-3,5-dimethoxybenzeneethanamine
CID 38240
Isoelemicin
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3,4,5-Trimethoxytoluene
CID 80922
3-Hydroxy-4-methoxyphenethylamine hydrochloride
CID 11665606

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethanamine (CID 4076) is 2-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(CCN)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is RHCSKNNOAZULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)ethanamine?
2-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 4076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).