2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine

C18H29NO — CID 66357108

IUPAC2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
SMILESCCC(C)(C)c1ccc(OC2CC(N)C2(C)CC)cc1
InChIInChI=1S/C18H29NO/c1-6-17(3,4)13-8-10-14(11-9-13)20-16-12-15(19)18(16,5)7-2/h8-11,15-16H,6-7,12,19H2,1-5H3
InChIKeyIUKGGFNPXDTEHO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.27
Rot. Bonds5

About 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine

2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine (PubChem CID 66357108) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
PubChem CID66357108
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine
SMILESCCC(C)(C)c1ccc(OC2CC(N)C2(C)CC)cc1
InChIInChI=1S/C18H29NO/c1-6-17(3,4)13-8-10-14(11-9-13)20-16-12-15(19)18(16,5)7-2/h8-11,15-16H,6-7,12,19H2,1-5H3
InChIKeyIUKGGFNPXDTEHO-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
CID 66356835
3-(4-ethoxyphenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66358501
2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 66357616
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 102715077
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
CID 66358515
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 66352041
3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66353159
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
CID 104675516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine (CID 66357108) is 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine is CCC(C)(C)c1ccc(OC2CC(N)C2(C)CC)cc1.
What is the InChIKey of 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine?
The InChIKey is IUKGGFNPXDTEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-17(3,4)13-8-10-14(11-9-13)20-16-12-15(19)18(16,5)7-2/h8-11,15-16H,6-7,12,19H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine?
2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 66357108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).