N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C15H22FN — CID 81022399

IUPACN-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccccc1F
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-11-8-9-12(11)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyHAZOVQRYAPGDOX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.71
Rot. Bonds3

About N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81022399) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81022399
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccccc1F
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-11-8-9-12(11)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyHAZOVQRYAPGDOX-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81022399) is N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1c1ccccc1F.
What is the InChIKey of N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HAZOVQRYAPGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)17-10-11-8-9-12(11)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).