3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

C18H29NO2 — CID 104676317

IUPAC3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H29NO2/c1-7-20-17-14(19-6)11-16(17)21-15-9-8-13(10-12(15)2)18(3,4)5/h8-10,14,16-17,19H,7,11H2,1-6H3
InChIKeyQVWCRAKNRVJKCV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.44
Rot. Bonds5

About 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (PubChem CID 104676317) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
PubChem CID104676317
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H29NO2/c1-7-20-17-14(19-6)11-16(17)21-15-9-8-13(10-12(15)2)18(3,4)5/h8-10,14,16-17,19H,7,11H2,1-6H3
InChIKeyQVWCRAKNRVJKCV-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
2-ethoxy-3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 104676461
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (CID 104676317) is 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The InChIKey is QVWCRAKNRVJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-20-17-14(19-6)11-16(17)21-15-9-8-13(10-12(15)2)18(3,4)5/h8-10,14,16-17,19H,7,11H2,1-6H3.
What are the key properties of 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104676317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).