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

C13H18BrNO — CID 107727245

IUPAC3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C13H18BrNO/c1-8-4-11(5-9(2)13(8)14)16-12-6-10(7-12)15-3/h4-5,10,12,15H,6-7H2,1-3H3
InChIKeyCGINQTDCGFWWOW-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds3

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

3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 107727245) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
PubChem CID107727245
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C13H18BrNO/c1-8-4-11(5-9(2)13(8)14)16-12-6-10(7-12)15-3/h4-5,10,12,15H,6-7H2,1-3H3
InChIKeyCGINQTDCGFWWOW-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
2-bromo-5-(3-chlorocyclobutyl)oxy-1,3-dimethylbenzene
CID 107727208
3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
CID 66359286
2-bromo-1,3-dimethyl-5-(3-methylsulfonylcyclobutyl)oxybenzene
CID 118086779
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
3-(4-bromo-2-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66350042
3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
CID 79642888
3-(4-bromo-3,5-dimethylphenoxy)thiolane 1,1-dioxide
CID 107723638
3-(3,4-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66359079
3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 79403567
3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol
CID 86697223

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine (CID 107727245) is 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2cc(C)c(Br)c(C)c2)C1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is CGINQTDCGFWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8-4-11(5-9(2)13(8)14)16-12-6-10(7-12)15-3/h4-5,10,12,15H,6-7H2,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine?
3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.20, 3 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-methylcyclobutan-1-amine is sourced from PubChem (CID 107727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).