N-ethyl-2-(2-propoxyphenoxy)ethanamine

C13H21NO2 — CID 6459111

IUPACN-ethyl-2-(2-propoxyphenoxy)ethanamine
SMILESCCCOc1ccccc1OCCNCC
InChIInChI=1S/C13H21NO2/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeySWXKUHBYHDMAET-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.46
Rot. Bonds8

About N-ethyl-2-(2-propoxyphenoxy)ethanamine

N-ethyl-2-(2-propoxyphenoxy)ethanamine (PubChem CID 6459111) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-(2-propoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-propoxyphenoxy)ethanamine
PubChem CID6459111
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-2-(2-propoxyphenoxy)ethanamine
SMILESCCCOc1ccccc1OCCNCC
InChIInChI=1S/C13H21NO2/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeySWXKUHBYHDMAET-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-propoxyphenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-propoxyphenoxy)ethanamine (CID 6459111) is N-ethyl-2-(2-propoxyphenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-propoxyphenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-propoxyphenoxy)ethanamine is CCCOc1ccccc1OCCNCC.
What is the InChIKey of N-ethyl-2-(2-propoxyphenoxy)ethanamine?
The InChIKey is SWXKUHBYHDMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-propoxyphenoxy)ethanamine?
N-ethyl-2-(2-propoxyphenoxy)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.46, 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-propoxyphenoxy)ethanamine is sourced from PubChem (CID 6459111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).