3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

C15H23NO — CID 66357508

IUPAC3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C15H23NO/c1-4-7-16-13-9-14(10-13)17-15-8-11(2)5-6-12(15)3/h5-6,8,13-14,16H,4,7,9-10H2,1-3H3
InChIKeyOERHESHJMUEPED-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds5

About 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66357508) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66357508
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C15H23NO/c1-4-7-16-13-9-14(10-13)17-15-8-11(2)5-6-12(15)3/h5-6,8,13-14,16H,4,7,9-10H2,1-3H3
InChIKeyOERHESHJMUEPED-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
CID 66359646
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 66358655

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (CID 66357508) is 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is OERHESHJMUEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-7-16-13-9-14(10-13)17-15-8-11(2)5-6-12(15)3/h5-6,8,13-14,16H,4,7,9-10H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).