2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine

C18H29NO2 — CID 63913135

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(COc1ccc(OC)cc1C(C)(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-6-19-16(13-7-8-13)12-21-17-10-9-14(20-5)11-15(17)18(2,3)4/h9-11,13,16,19H,6-8,12H2,1-5H3
InChIKeyLGQKEVFAHSEYAE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine

2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine (PubChem CID 63913135) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
PubChem CID63913135
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(COc1ccc(OC)cc1C(C)(C)C)C1CC1
InChIInChI=1S/C18H29NO2/c1-6-19-16(13-7-8-13)12-21-17-10-9-14(20-5)11-15(17)18(2,3)4/h9-11,13,16,19H,6-8,12H2,1-5H3
InChIKeyLGQKEVFAHSEYAE-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63912498
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine (CID 63913135) is 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine is CCNC(COc1ccc(OC)cc1C(C)(C)C)C1CC1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine?
The InChIKey is LGQKEVFAHSEYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-16(13-7-8-13)12-21-17-10-9-14(20-5)11-15(17)18(2,3)4/h9-11,13,16,19H,6-8,12H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine?
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63913135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).