3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine

C12H16BrNO — CID 66359628

IUPAC3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-12(2)10(14)7-11(12)15-9-6-4-3-5-8(9)13/h3-6,10-11H,7,14H2,1-2H3
InChIKeyKBOHWWKKGGRULE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.95
Rot. Bonds2

About 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine

3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66359628) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66359628
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-12(2)10(14)7-11(12)15-9-6-4-3-5-8(9)13/h3-6,10-11H,7,14H2,1-2H3
InChIKeyKBOHWWKKGGRULE-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine
CID 81415528
3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66350732
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 83135242
9-(2-bromophenoxy)-9H-fluorene
CID 102332069
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359024
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-methylbenzene
CID 66344846
1-bromo-2-methoxybenzene;ethane
CID 91096433
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66356904
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357748

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66359628) is 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1Oc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is KBOHWWKKGGRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2)10(14)7-11(12)15-9-6-4-3-5-8(9)13/h3-6,10-11H,7,14H2,1-2H3.
What are the key properties of 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine?
3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66359628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).