3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline

C17H17F2N — CID 43633782

IUPAC3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
SMILESCc1ccc(NC2CC(c3cccc(F)c3)C2)cc1F
InChIInChI=1S/C17H17F2N/c1-11-5-6-15(10-17(11)19)20-16-8-13(9-16)12-3-2-4-14(18)7-12/h2-7,10,13,16,20H,8-9H2,1H3
InChIKeyVRFBWUUBHZPYAI-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.63
Rot. Bonds3

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

3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline (PubChem CID 43633782) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
PubChem CID43633782
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
SMILESCc1ccc(NC2CC(c3cccc(F)c3)C2)cc1F
InChIInChI=1S/C17H17F2N/c1-11-5-6-15(10-17(11)19)20-16-8-13(9-16)12-3-2-4-14(18)7-12/h2-7,10,13,16,20H,8-9H2,1H3
InChIKeyVRFBWUUBHZPYAI-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
CID 62317861
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline?
The IUPAC name of 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline (CID 43633782) is 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline.
What is the SMILES notation for 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline?
The canonical SMILES for 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline is Cc1ccc(NC2CC(c3cccc(F)c3)C2)cc1F.
What is the InChIKey of 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline?
The InChIKey is VRFBWUUBHZPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-5-6-15(10-17(11)19)20-16-8-13(9-16)12-3-2-4-14(18)7-12/h2-7,10,13,16,20H,8-9H2,1H3.
What are the key properties of 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline?
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline has a molecular weight of 273.33 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline is sourced from PubChem (CID 43633782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).