N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline

C19H22FN — CID 43687441

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
SMILESCCCc1ccccc1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN/c1-2-6-14-7-3-4-10-19(14)21-18-12-16(13-18)15-8-5-9-17(20)11-15/h3-5,7-11,16,18,21H,2,6,12-13H2,1H3
InChIKeyXWUQSKWSXUQAHW-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.14
Rot. Bonds5

About N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline

N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline (PubChem CID 43687441) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
PubChem CID43687441
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
SMILESCCCc1ccccc1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN/c1-2-6-14-7-3-4-10-19(14)21-18-12-16(13-18)15-8-5-9-17(20)11-15/h3-5,7-11,16,18,21H,2,6,12-13H2,1H3
InChIKeyXWUQSKWSXUQAHW-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline (CID 43687441) is N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline is CCCc1ccccc1NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline?
The InChIKey is XWUQSKWSXUQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-2-6-14-7-3-4-10-19(14)21-18-12-16(13-18)15-8-5-9-17(20)11-15/h3-5,7-11,16,18,21H,2,6,12-13H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline?
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline has a molecular weight of 283.39 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline is sourced from PubChem (CID 43687441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).