3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine

C15H23NO — CID 66359131

IUPAC3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H23NO/c1-4-7-16-13-9-15(10-13)17-14-6-5-11(2)12(3)8-14/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3
InChIKeyFSBWGDAFVWCNAS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine

3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66359131) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66359131
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H23NO/c1-4-7-16-13-9-15(10-13)17-14-6-5-11(2)12(3)8-14/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3
InChIKeyFSBWGDAFVWCNAS-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-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
CID 66359704
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329
N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 66358655

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine (CID 66359131) is 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(C)c(C)c2)C1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is FSBWGDAFVWCNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-7-16-13-9-15(10-13)17-14-6-5-11(2)12(3)8-14/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine?
3-(3,4-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-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66359131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).