N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine

C14H23NO2 — CID 143866494

IUPACN-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
SMILESCCNCCc1cc(OC)c(OC)cc1CC
InChIInChI=1S/C14H23NO2/c1-5-11-9-13(16-3)14(17-4)10-12(11)7-8-15-6-2/h9-10,15H,5-8H2,1-4H3
InChIKeyYRTVWNWCRLHSOF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.42
Rot. Bonds7

About N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine

N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine (PubChem CID 143866494) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
PubChem CID143866494
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
SMILESCCNCCc1cc(OC)c(OC)cc1CC
InChIInChI=1S/C14H23NO2/c1-5-11-9-13(16-3)14(17-4)10-12(11)7-8-15-6-2/h9-10,15H,5-8H2,1-4H3
InChIKeyYRTVWNWCRLHSOF-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.42
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

2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
[2-(2,4,5-trimethoxyphenyl)ethylamino]methanethiol
CID 115228309
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
CID 65305689
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine (CID 143866494) is N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine is CCNCCc1cc(OC)c(OC)cc1CC.
What is the InChIKey of N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine?
The InChIKey is YRTVWNWCRLHSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11-9-13(16-3)14(17-4)10-12(11)7-8-15-6-2/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine?
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 143866494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).