1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine

C15H23NO2 — CID 55024132

IUPAC1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
SMILESCCOc1ccc(OCCNC(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-17-14-6-8-15(9-7-14)18-11-10-16-12(2)13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyZTJLTOHNMUJUOW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds8

About 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine

1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine (PubChem CID 55024132) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
PubChem CID55024132
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
SMILESCCOc1ccc(OCCNC(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-17-14-6-8-15(9-7-14)18-11-10-16-12(2)13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyZTJLTOHNMUJUOW-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
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

1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81389569
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine (CID 55024132) is 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine is CCOc1ccc(OCCNC(C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine?
The InChIKey is ZTJLTOHNMUJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-14-6-8-15(9-7-14)18-11-10-16-12(2)13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine?
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine is sourced from PubChem (CID 55024132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).