2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline

C16H15BrFN — CID 43633514

IUPAC2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccccc1C1CC(Nc2ccccc2Br)C1
InChIInChI=1S/C16H15BrFN/c17-14-6-2-4-8-16(14)19-12-9-11(10-12)13-5-1-3-7-15(13)18/h1-8,11-12,19H,9-10H2
InChIKeyDOUWHMDERNFVID-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.95
Rot. Bonds3

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

2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline (PubChem CID 43633514) has the molecular formula C16H15BrFN and a molecular weight of 320.20 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
PubChem CID43633514
Molecular FormulaC16H15BrFN
Molecular Weight320.20 g/mol
Exact Mass319.04
IUPAC Name2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccccc1C1CC(Nc2ccccc2Br)C1
InChIInChI=1S/C16H15BrFN/c17-14-6-2-4-8-16(14)19-12-9-11(10-12)13-5-1-3-7-15(13)18/h1-8,11-12,19H,9-10H2
InChIKeyDOUWHMDERNFVID-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
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-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
CID 107571943
N-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
CID 79042350
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline (CID 43633514) is 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline is Fc1ccccc1C1CC(Nc2ccccc2Br)C1.
What is the InChIKey of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
The InChIKey is DOUWHMDERNFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-6-2-4-8-16(14)19-12-9-11(10-12)13-5-1-3-7-15(13)18/h1-8,11-12,19H,9-10H2.
What are the key properties of 2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline has a molecular weight of 320.20 g/mol, XLogP of 4.95, 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]aniline is sourced from PubChem (CID 43633514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).