N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine

C17H27NO — CID 66359159

IUPACN-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2C(C)C)C1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-15-11-16(17(15,4)5)19-14-10-8-7-9-13(14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeyLJINGMLOTORQMH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine

N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine (PubChem CID 66359159) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
PubChem CID66359159
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2ccccc2C(C)C)C1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-15-11-16(17(15,4)5)19-14-10-8-7-9-13(14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeyLJINGMLOTORQMH-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine (CID 66359159) is N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine is CCNC1CC(Oc2ccccc2C(C)C)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine?
The InChIKey is LJINGMLOTORQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-18-15-11-16(17(15,4)5)19-14-10-8-7-9-13(14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine?
N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).