1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine

C16H25NO2 — CID 63908353

IUPAC1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
SMILESCCCOc1ccc(OCC(NCC)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-7-9-15(10-8-14)19-12-16(17-4-2)13-5-6-13/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyWOIFBXPWOIKLER-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds9

About 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine

1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine (PubChem CID 63908353) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
PubChem CID63908353
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
SMILESCCCOc1ccc(OCC(NCC)C2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-11-18-14-7-9-15(10-8-14)19-12-16(17-4-2)13-5-6-13/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyWOIFBXPWOIKLER-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
CID 104749281
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63912061
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63913135
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63912498
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine (CID 63908353) is 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine is CCCOc1ccc(OCC(NCC)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine?
The InChIKey is WOIFBXPWOIKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11-18-14-7-9-15(10-8-14)19-12-16(17-4-2)13-5-6-13/h7-10,13,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine?
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine is sourced from PubChem (CID 63908353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).