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

C17H17F2N — CID 43633732

IUPAC5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
SMILESCc1ccc(F)cc1NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17F2N/c1-11-2-5-15(19)10-17(11)20-16-8-13(9-16)12-3-6-14(18)7-4-12/h2-7,10,13,16,20H,8-9H2,1H3
InChIKeyOEVBBDYEGVBPDO-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.63
Rot. Bonds3

About 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline

5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline (PubChem CID 43633732) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline.

Molecular Properties

Compound Name5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
PubChem CID43633732
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
SMILESCc1ccc(F)cc1NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17F2N/c1-11-2-5-15(19)10-17(11)20-16-8-13(9-16)12-3-6-14(18)7-4-12/h2-7,10,13,16,20H,8-9H2,1H3
InChIKeyOEVBBDYEGVBPDO-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline?
The IUPAC name of 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline (CID 43633732) is 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline.
What is the SMILES notation for 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline?
The canonical SMILES for 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline is Cc1ccc(F)cc1NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline?
The InChIKey is OEVBBDYEGVBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-2-5-15(19)10-17(11)20-16-8-13(9-16)12-3-6-14(18)7-4-12/h2-7,10,13,16,20H,8-9H2,1H3.
What are the key properties of 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline?
5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-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 5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline is sourced from PubChem (CID 43633732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).