N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine

C15H23NO — CID 66359646

IUPACN-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C15H23NO/c1-5-16-13-8-14(9-13)17-15-7-10(2)6-11(3)12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3
InChIKeyJRWRQANWOKJTSX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine

N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine (PubChem CID 66359646) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
PubChem CID66359646
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C15H23NO/c1-5-16-13-8-14(9-13)17-15-7-10(2)6-11(3)12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3
InChIKeyJRWRQANWOKJTSX-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine (CID 66359646) is N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine is CCNC1CC(Oc2cc(C)cc(C)c2C)C1.
What is the InChIKey of N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine?
The InChIKey is JRWRQANWOKJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-13-8-14(9-13)17-15-7-10(2)6-11(3)12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine?
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).