2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine

C16H27NO3 — CID 62572264

IUPAC2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccccc1OCC
InChIInChI=1S/C16H27NO3/c1-4-18-12-8-11-17-13-14(3)20-16-10-7-6-9-15(16)19-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyFPZYDBVFVRJSLG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.87
Rot. Bonds11

About 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine

2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62572264) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62572264
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccccc1OCC
InChIInChI=1S/C16H27NO3/c1-4-18-12-8-11-17-13-14(3)20-16-10-7-6-9-15(16)19-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyFPZYDBVFVRJSLG-UHFFFAOYSA-N
XLogP2.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
2-(4-bromo-2-fluorophenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62598384
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
N-(3-ethoxypropyl)-2-quinolin-7-yloxypropan-1-amine
CID 107315345
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine (CID 62572264) is 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)Oc1ccccc1OCC.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is FPZYDBVFVRJSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-18-12-8-11-17-13-14(3)20-16-10-7-6-9-15(16)19-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine?
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62572264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).