N-[(4-fluorophenyl)methyl]cyclobutanamine

C11H14FN — CID 18507922

IUPACN-[(4-fluorophenyl)methyl]cyclobutanamine
SMILESFc1ccc(CNC2CCC2)cc1
InChIInChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11,13H,1-3,8H2
InChIKeyJWUOYCLAZLGCTQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.47
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]cyclobutanamine

N-[(4-fluorophenyl)methyl]cyclobutanamine (PubChem CID 18507922) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]cyclobutanamine
PubChem CID18507922
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-[(4-fluorophenyl)methyl]cyclobutanamine
SMILESFc1ccc(CNC2CCC2)cc1
InChIInChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11,13H,1-3,8H2
InChIKeyJWUOYCLAZLGCTQ-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]cyclobutanamine (CID 18507922) is N-[(4-fluorophenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]cyclobutanamine is Fc1ccc(CNC2CCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]cyclobutanamine?
The InChIKey is JWUOYCLAZLGCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11,13H,1-3,8H2.
What are the key properties of N-[(4-fluorophenyl)methyl]cyclobutanamine?
N-[(4-fluorophenyl)methyl]cyclobutanamine has a molecular weight of 179.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]cyclobutanamine is sourced from PubChem (CID 18507922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).