2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine

C13H21NO2 — CID 82643956

IUPAC2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-14-9-8-11-6-7-12(16-5-2)13(10-11)15-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyZPRDADWDKWCCDI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine

2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine (PubChem CID 82643956) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
PubChem CID82643956
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
SMILESCCNCCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-14-9-8-11-6-7-12(16-5-2)13(10-11)15-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyZPRDADWDKWCCDI-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
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-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
1,2-diethoxy-4-propylbenzene
CID 3995471
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17292155
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine (CID 82643956) is 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine is CCNCCc1ccc(OCC)c(OC)c1.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine?
The InChIKey is ZPRDADWDKWCCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14-9-8-11-6-7-12(16-5-2)13(10-11)15-3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine?
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 82643956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).