2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline

C16H22Br3NO — CID 64851754

IUPAC2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
SMILESCC(C)COC1CC(Nc2c(Br)cc(Br)cc2Br)C1(C)C
InChIInChI=1S/C16H22Br3NO/c1-9(2)8-21-14-7-13(16(14,3)4)20-15-11(18)5-10(17)6-12(15)19/h5-6,9,13-14,20H,7-8H2,1-4H3
InChIKeyCQRIBVMENBCXOA-UHFFFAOYSA-N
MW484.07 g/mol
LogP6.23
Rot. Bonds5

About 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline

2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline (PubChem CID 64851754) has the molecular formula C16H22Br3NO and a molecular weight of 484.07 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
PubChem CID64851754
Molecular FormulaC16H22Br3NO
Molecular Weight484.07 g/mol
Exact Mass480.93
IUPAC Name2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
SMILESCC(C)COC1CC(Nc2c(Br)cc(Br)cc2Br)C1(C)C
InChIInChI=1S/C16H22Br3NO/c1-9(2)8-21-14-7-13(16(14,3)4)20-15-11(18)5-10(17)6-12(15)19/h5-6,9,13-14,20H,7-8H2,1-4H3
InChIKeyCQRIBVMENBCXOA-UHFFFAOYSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.07
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756
4-bromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 107609719
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
4-bromo-3-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107619177
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
4-bromo-2,3-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107787809
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylaniline
CID 64851175
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine
CID 65482965
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
CID 64851558

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline (CID 64851754) is 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline is CC(C)COC1CC(Nc2c(Br)cc(Br)cc2Br)C1(C)C.
What is the InChIKey of 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The InChIKey is CQRIBVMENBCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br3NO/c1-9(2)8-21-14-7-13(16(14,3)4)20-15-11(18)5-10(17)6-12(15)19/h5-6,9,13-14,20H,7-8H2,1-4H3.
What are the key properties of 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline has a molecular weight of 484.07 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline is sourced from PubChem (CID 64851754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).