2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine

C15H22BrNO — CID 107726464

IUPAC2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(C)c(Br)c(C)c2)CCC1
InChIInChI=1S/C15H22BrNO/c1-11-9-13(10-12(2)14(11)16)18-15(5-4-6-15)7-8-17-3/h9-10,17H,4-8H2,1-3H3
InChIKeySTMWADXAAWZQMY-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.98
Rot. Bonds5

About 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine

2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 107726464) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
PubChem CID107726464
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(C)c(Br)c(C)c2)CCC1
InChIInChI=1S/C15H22BrNO/c1-11-9-13(10-12(2)14(11)16)18-15(5-4-6-15)7-8-17-3/h9-10,17H,4-8H2,1-3H3
InChIKeySTMWADXAAWZQMY-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

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Related Compounds

2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]acetic acid
CID 107722332
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
CID 106598111
N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274125
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine (CID 107726464) is 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine is CNCCC1(Oc2cc(C)c(Br)c(C)c2)CCC1.
What is the InChIKey of 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is STMWADXAAWZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-9-13(10-12(2)14(11)16)18-15(5-4-6-15)7-8-17-3/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine 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 2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 107726464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).