N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine

C15H22FN — CID 81018045

IUPACN-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(C2CCC2CNC(C)C)c1
InChIInChI=1S/C15H22FN/c1-10(2)17-9-12-5-6-13(12)14-8-11(3)4-7-15(14)16/h4,7-8,10,12-13,17H,5-6,9H2,1-3H3
InChIKeyOMURTNODPOZTKL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.63
Rot. Bonds4

About N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81018045) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81018045
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(C2CCC2CNC(C)C)c1
InChIInChI=1S/C15H22FN/c1-10(2)17-9-12-5-6-13(12)14-8-11(3)4-7-15(14)16/h4,7-8,10,12-13,17H,5-6,9H2,1-3H3
InChIKeyOMURTNODPOZTKL-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine (CID 81018045) is N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine is Cc1ccc(F)c(C2CCC2CNC(C)C)c1.
What is the InChIKey of N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is OMURTNODPOZTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)17-9-12-5-6-13(12)14-8-11(3)4-7-15(14)16/h4,7-8,10,12-13,17H,5-6,9H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81018045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).