2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine

C13H20ClNO2 — CID 65303014

IUPAC2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-3-15-7-9-17-8-6-11-4-5-13(16-2)12(14)10-11/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyUOJBOSYFIQSOEJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.52
Rot. Bonds8

About 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine

2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine (PubChem CID 65303014) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
PubChem CID65303014
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-3-15-7-9-17-8-6-11-4-5-13(16-2)12(14)10-11/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyUOJBOSYFIQSOEJ-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.52
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-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
4-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 65309053
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine (CID 65303014) is 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine is CCNCCOCCc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine?
The InChIKey is UOJBOSYFIQSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-15-7-9-17-8-6-11-4-5-13(16-2)12(14)10-11/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine?
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 65303014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).