1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine

C15H23NO2 — CID 114521821

IUPAC1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-3-16-15(11-17-4-2)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10,13,15-16H,3-4,8-9,11H2,1-2H3
InChIKeyWQKONJSZNVWWSK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds8

About 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine

1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 114521821) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
PubChem CID114521821
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-3-16-15(11-17-4-2)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10,13,15-16H,3-4,8-9,11H2,1-2H3
InChIKeyWQKONJSZNVWWSK-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 114522301

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine (CID 114521821) is 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is WQKONJSZNVWWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-15(11-17-4-2)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10,13,15-16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine?
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 114521821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).