3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine

C13H17Br2NO — CID 66352255

IUPAC3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NO/c1-13(2)11(16-3)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12,16H,7H2,1-3H3
InChIKeyIJMQZPHPIRDLBD-UHFFFAOYSA-N
MW363.09 g/mol
LogP3.98
Rot. Bonds3

About 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine

3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 66352255) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID66352255
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NO/c1-13(2)11(16-3)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12,16H,7H2,1-3H3
InChIKeyIJMQZPHPIRDLBD-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-nitrophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 103013187
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine
CID 97041991
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356948
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(4-fluoro-2-nitrophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66350692
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(4-bromophenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81418019

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine (CID 66352255) is 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(Oc2ccc(Br)cc2Br)C1(C)C.
What is the InChIKey of 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is IJMQZPHPIRDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-13(2)11(16-3)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12,16H,7H2,1-3H3.
What are the key properties of 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine?
3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 363.09 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 66352255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).