2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine

C18H29NO — CID 66351324

IUPAC2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H29NO/c1-6-18(7-2)16(19)11-17(18)20-15-10-14(12(3)4)9-8-13(15)5/h8-10,12,16-17H,6-7,11,19H2,1-5H3
InChIKeyJKTQOJIUSMOFAE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.40
Rot. Bonds5

About 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine

2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine (PubChem CID 66351324) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
PubChem CID66351324
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H29NO/c1-6-18(7-2)16(19)11-17(18)20-15-10-14(12(3)4)9-8-13(15)5/h8-10,12,16-17H,6-7,11,19H2,1-5H3
InChIKeyJKTQOJIUSMOFAE-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942562
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine (CID 66351324) is 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine?
The InChIKey is JKTQOJIUSMOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-18(7-2)16(19)11-17(18)20-15-10-14(12(3)4)9-8-13(15)5/h8-10,12,16-17H,6-7,11,19H2,1-5H3.
What are the key properties of 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine?
2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66351324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).