3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine

C15H22BrNO2 — CID 104675018

IUPAC3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)c(C)c2)C1OC
InChIInChI=1S/C15H22BrNO2/c1-4-7-17-13-9-14(15(13)18-3)19-11-5-6-12(16)10(2)8-11/h5-6,8,13-15,17H,4,7,9H2,1-3H3
InChIKeyJYHANPQJEPOGOA-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.29
Rot. Bonds6

About 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine

3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104675018) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104675018
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)c(C)c2)C1OC
InChIInChI=1S/C15H22BrNO2/c1-4-7-17-13-9-14(15(13)18-3)19-11-5-6-12(16)10(2)8-11/h5-6,8,13-15,17H,4,7,9H2,1-3H3
InChIKeyJYHANPQJEPOGOA-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-3-methylphenoxy)-2-methoxy-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)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
3-(2-bromo-5-nitrophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 103013202
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 104674385
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine (CID 104675018) is 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Br)c(C)c2)C1OC.
What is the InChIKey of 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is JYHANPQJEPOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-4-7-17-13-9-14(15(13)18-3)19-11-5-6-12(16)10(2)8-11/h5-6,8,13-15,17H,4,7,9H2,1-3H3.
What are the key properties of 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104675018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).