2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine

C13H21NO2 — CID 98783839

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
SMILESCCNCCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2/c1-5-14-7-6-11-9-12(15-3)10(2)8-13(11)16-4/h8-9,14H,5-7H2,1-4H3
InChIKeyRKEPLRIRLPYZIR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds6

About 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine

2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine (PubChem CID 98783839) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
PubChem CID98783839
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
SMILESCCNCCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2/c1-5-14-7-6-11-9-12(15-3)10(2)8-13(11)16-4/h8-9,14H,5-7H2,1-4H3
InChIKeyRKEPLRIRLPYZIR-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine (CID 98783839) is 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine is CCNCCc1cc(OC)c(C)cc1OC.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine?
The InChIKey is RKEPLRIRLPYZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14-7-6-11-9-12(15-3)10(2)8-13(11)16-4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine?
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 98783839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).