N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine

C13H21NO2 — CID 82353109

IUPACN-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
SMILESCCNCCOCCOc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-3-14-7-8-15-9-10-16-13-6-4-5-12(2)11-13/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyCHQRAJLNWBEBSM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds8

About N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine

N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine (PubChem CID 82353109) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
PubChem CID82353109
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
SMILESCCNCCOCCOc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-3-14-7-8-15-9-10-16-13-6-4-5-12(2)11-13/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyCHQRAJLNWBEBSM-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
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-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
CID 82353159
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
CID 82353114
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine (CID 82353109) is N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine is CCNCCOCCOc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine?
The InChIKey is CHQRAJLNWBEBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-14-7-8-15-9-10-16-13-6-4-5-12(2)11-13/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine?
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 82353109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).