3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

C15H22BrNO — CID 107727232

IUPAC3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C15H22BrNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyURQXWEWULIKWEI-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 107727232) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID107727232
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C15H22BrNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyURQXWEWULIKWEI-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
CID 107727245
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
2-bromo-5-(3-chlorocyclobutyl)oxy-1,3-dimethylbenzene
CID 107727208
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
CID 66359704
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 66358655
2-bromo-1,3-dimethyl-5-(3-methylsulfonylcyclobutyl)oxybenzene
CID 118086779
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (CID 107727232) is 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(C)c(Br)c(C)c2)C1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is URQXWEWULIKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107727232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).