[3-(1-fluorocyclobutyl)phenyl]methanamine

C11H14FN — CID 84718168

IUPAC[3-(1-fluorocyclobutyl)phenyl]methanamine
SMILESNCc1cccc(C2(F)CCC2)c1
InChIInChI=1S/C11H14FN/c12-11(5-2-6-11)10-4-1-3-9(7-10)8-13/h1,3-4,7H,2,5-6,8,13H2
InChIKeyZBSFTUKKSINZTK-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.49
Rot. Bonds2

About [3-(1-fluorocyclobutyl)phenyl]methanamine

[3-(1-fluorocyclobutyl)phenyl]methanamine (PubChem CID 84718168) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is [3-(1-fluorocyclobutyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-fluorocyclobutyl)phenyl]methanamine
PubChem CID84718168
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name[3-(1-fluorocyclobutyl)phenyl]methanamine
SMILESNCc1cccc(C2(F)CCC2)c1
InChIInChI=1S/C11H14FN/c12-11(5-2-6-11)10-4-1-3-9(7-10)8-13/h1,3-4,7H,2,5-6,8,13H2
InChIKeyZBSFTUKKSINZTK-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine
CID 84724872
2-[3-(4-fluorooxan-4-yl)phenyl]ethanamine
CID 84725265
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
4-fluoro-4-(3-propylphenyl)azepane
CID 116546577
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039781
1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
CID 84727421
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 69308615
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182

Frequently Asked Questions

What is the IUPAC name of [3-(1-fluorocyclobutyl)phenyl]methanamine?
The IUPAC name of [3-(1-fluorocyclobutyl)phenyl]methanamine (CID 84718168) is [3-(1-fluorocyclobutyl)phenyl]methanamine.
What is the SMILES notation for [3-(1-fluorocyclobutyl)phenyl]methanamine?
The canonical SMILES for [3-(1-fluorocyclobutyl)phenyl]methanamine is NCc1cccc(C2(F)CCC2)c1.
What is the InChIKey of [3-(1-fluorocyclobutyl)phenyl]methanamine?
The InChIKey is ZBSFTUKKSINZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-11(5-2-6-11)10-4-1-3-9(7-10)8-13/h1,3-4,7H,2,5-6,8,13H2.
What are the key properties of [3-(1-fluorocyclobutyl)phenyl]methanamine?
[3-(1-fluorocyclobutyl)phenyl]methanamine has a molecular weight of 179.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluorocyclobutyl)phenyl]methanamine is sourced from PubChem (CID 84718168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).