3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine

C17H26BrNO — CID 115403053

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H26BrNO/c1-5-17(6-2)15(19)10-16(17)20-14-8-7-12(18)9-13(14)11(3)4/h7-9,11,15-16H,5-6,10,19H2,1-4H3
InChIKeyRCXRPDVUMBUXOW-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.86
Rot. Bonds5

About 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine

3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 115403053) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID115403053
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H26BrNO/c1-5-17(6-2)15(19)10-16(17)20-14-8-7-12(18)9-13(14)11(3)4/h7-9,11,15-16H,5-6,10,19H2,1-4H3
InChIKeyRCXRPDVUMBUXOW-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66356904
3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
CID 115403047
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359569
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 66358090
4-bromo-1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-nitrobenzene
CID 66344134
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 103484351
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine (CID 115403053) is 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1ccc(Br)cc1C(C)C.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is RCXRPDVUMBUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-5-17(6-2)15(19)10-16(17)20-14-8-7-12(18)9-13(14)11(3)4/h7-9,11,15-16H,5-6,10,19H2,1-4H3.
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine?
3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 115403053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).