4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline

C13H18BrN — CID 107571985

IUPAC4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cc(NC2CC(C)C2)cc(C)c1Br
InChIInChI=1S/C13H18BrN/c1-8-4-11(5-8)15-12-6-9(2)13(14)10(3)7-12/h6-8,11,15H,4-5H2,1-3H3
InChIKeyCYDGLSSWDBDUOD-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.28
Rot. Bonds2

About 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline

4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline (PubChem CID 107571985) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
PubChem CID107571985
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cc(NC2CC(C)C2)cc(C)c1Br
InChIInChI=1S/C13H18BrN/c1-8-4-11(5-8)15-12-6-9(2)13(14)10(3)7-12/h6-8,11,15H,4-5H2,1-3H3
InChIKeyCYDGLSSWDBDUOD-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
CID 107571943
N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 104531796
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
4-[(3,5-dimethylcyclohexyl)amino]-2-methylbenzenecarbothioamide
CID 81277614
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline (CID 107571985) is 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline is Cc1cc(NC2CC(C)C2)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline?
The InChIKey is CYDGLSSWDBDUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-8-4-11(5-8)15-12-6-9(2)13(14)10(3)7-12/h6-8,11,15H,4-5H2,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline?
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline has a molecular weight of 268.20 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 107571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).