2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline

C17H17BrFN — CID 43632878

IUPAC2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
SMILESCc1ccc(NC2CC(c3ccccc3F)C2)c(Br)c1
InChIInChI=1S/C17H17BrFN/c1-11-6-7-17(15(18)8-11)20-13-9-12(10-13)14-4-2-3-5-16(14)19/h2-8,12-13,20H,9-10H2,1H3
InChIKeyWMVRULAMKSQBFD-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.25
Rot. Bonds3

About 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline

2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline (PubChem CID 43632878) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
PubChem CID43632878
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
SMILESCc1ccc(NC2CC(c3ccccc3F)C2)c(Br)c1
InChIInChI=1S/C17H17BrFN/c1-11-6-7-17(15(18)8-11)20-13-9-12(10-13)14-4-2-3-5-16(14)19/h2-8,12-13,20H,9-10H2,1H3
InChIKeyWMVRULAMKSQBFD-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
CID 107571943
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 63425780
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
4-bromo-2,6-difluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 65469468
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline (CID 43632878) is 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline is Cc1ccc(NC2CC(c3ccccc3F)C2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline?
The InChIKey is WMVRULAMKSQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11-6-7-17(15(18)8-11)20-13-9-12(10-13)14-4-2-3-5-16(14)19/h2-8,12-13,20H,9-10H2,1H3.
What are the key properties of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline?
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline has a molecular weight of 334.23 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline is sourced from PubChem (CID 43632878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).