4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline

C18H19BrFN — CID 107571943

IUPAC4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
SMILESCc1cc(NC2CC(c3ccccc3F)C2)cc(C)c1Br
InChIInChI=1S/C18H19BrFN/c1-11-7-14(8-12(2)18(11)19)21-15-9-13(10-15)16-5-3-4-6-17(16)20/h3-8,13,15,21H,9-10H2,1-2H3
InChIKeyRONJDLZANOQOSJ-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.56
Rot. Bonds3

About 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline

4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline (PubChem CID 107571943) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
PubChem CID107571943
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
SMILESCc1cc(NC2CC(c3ccccc3F)C2)cc(C)c1Br
InChIInChI=1S/C18H19BrFN/c1-11-7-14(8-12(2)18(11)19)21-15-9-13(10-15)16-5-3-4-6-17(16)20/h3-8,13,15,21H,9-10H2,1-2H3
InChIKeyRONJDLZANOQOSJ-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43632878
2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 63425780
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43635820
4-bromo-2,6-difluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 65469468
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
CID 107571985
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
3-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 104775924
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline (CID 107571943) is 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline is Cc1cc(NC2CC(c3ccccc3F)C2)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline?
The InChIKey is RONJDLZANOQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-11-7-14(8-12(2)18(11)19)21-15-9-13(10-15)16-5-3-4-6-17(16)20/h3-8,13,15,21H,9-10H2,1-2H3.
What are the key properties of 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline?
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline has a molecular weight of 348.26 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).