N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine

C13H21NO2 — CID 28879106

IUPACN-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-3-9-14-10-11-16-13-7-5-12(6-8-13)15-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRGYPKHGEORDDOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.46
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine

N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine (PubChem CID 28879106) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
PubChem CID28879106
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOc1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-3-9-14-10-11-16-13-7-5-12(6-8-13)15-4-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRGYPKHGEORDDOO-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-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 54805794
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine (CID 28879106) is N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine is CCCNCCOc1ccc(OCC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is RGYPKHGEORDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-14-10-11-16-13-7-5-12(6-8-13)15-4-2/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine?
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine 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-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 28879106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).