2,5-Dimethoxy-4-methylphenethylamine

C11H17NO2 — CID 135740

IUPAC2-(2,5-dimethoxy-4-methylphenyl)ethanamine
SMILESCC1=CC(=C(C=C1OC)CCN)OC
InChIInChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
InChIKeyUNQQFDCVEMVQHM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.80
Rot. Bonds4

About 2,5-Dimethoxy-4-methylphenethylamine

2,5-Dimethoxy-4-methylphenethylamine (PubChem CID 135740) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2,5-Dimethoxy-4-methylphenethylamine
PubChem CID135740
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)ethanamine
SMILESCC1=CC(=C(C=C1OC)CCN)OC
InChIInChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
InChIKeyUNQQFDCVEMVQHM-UHFFFAOYSA-N
XLogP1.80
TPSA44.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity163

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methoxamine
CID 6082
2,5-Dimethoxy-4-Methylamphetamine
CID 85875
2,5-Dimethoxy-4-iodoamphetamine
CID 1229
(+-)-2,5-Dimethoxyamphetamine
CID 62787
2,5-Dimethoxy-4-iodophenethylamine
CID 10267191
Methoxamine Hydrochloride
CID 57333099
3-Methoxyphenethylamine
CID 74866
Desglymidodrine
CID 43260
4-Ethyl-2,5-dimethoxy-beta-phenethylamine
CID 24729233
2,5-Dimethoxyphenethylamine
CID 76632
2,5-Dimethoxy-4-ethylamphetamine
CID 27402
2,5-Dimethoxy-4-Methylamphetamine, (R)-
CID 11735949

Frequently Asked Questions

What is the IUPAC name of 2,5-Dimethoxy-4-methylphenethylamine?
The IUPAC name of 2,5-Dimethoxy-4-methylphenethylamine (CID 135740) is 2-(2,5-dimethoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2,5-Dimethoxy-4-methylphenethylamine?
The canonical SMILES for 2,5-Dimethoxy-4-methylphenethylamine is CC1=CC(=C(C=C1OC)CCN)OC.
What is the InChIKey of 2,5-Dimethoxy-4-methylphenethylamine?
The InChIKey is UNQQFDCVEMVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2,5-Dimethoxy-4-methylphenethylamine?
2,5-Dimethoxy-4-methylphenethylamine has a molecular weight of 195.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-Dimethoxy-4-methylphenethylamine is sourced from PubChem (CID 135740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).