2-(cyclobutylmethyl)-6-fluoroaniline

C11H14FN — CID 105438233

IUPAC2-(cyclobutylmethyl)-6-fluoroaniline
SMILESNc1c(F)cccc1CC1CCC1
InChIInChI=1S/C11H14FN/c12-10-6-2-5-9(11(10)13)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,13H2
InChIKeyOZLSUBJBNVRUIR-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.75
Rot. Bonds2

About 2-(cyclobutylmethyl)-6-fluoroaniline

2-(cyclobutylmethyl)-6-fluoroaniline (PubChem CID 105438233) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-6-fluoroaniline
PubChem CID105438233
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(cyclobutylmethyl)-6-fluoroaniline
SMILESNc1c(F)cccc1CC1CCC1
InChIInChI=1S/C11H14FN/c12-10-6-2-5-9(11(10)13)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,13H2
InChIKeyOZLSUBJBNVRUIR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
2-fluoro-6-(oxan-2-ylmethyl)aniline
CID 105463137
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
1-[(3-bromocyclohexyl)methyl]-2,3-difluorobenzene
CID 64507155
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
2-(cyclopentylmethyl)aniline
CID 15634615
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
2-(cyclobutylmethyl)phenol
CID 115012772
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-6-fluoroaniline?
The IUPAC name of 2-(cyclobutylmethyl)-6-fluoroaniline (CID 105438233) is 2-(cyclobutylmethyl)-6-fluoroaniline.
What is the SMILES notation for 2-(cyclobutylmethyl)-6-fluoroaniline?
The canonical SMILES for 2-(cyclobutylmethyl)-6-fluoroaniline is Nc1c(F)cccc1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-6-fluoroaniline?
The InChIKey is OZLSUBJBNVRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-10-6-2-5-9(11(10)13)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,13H2.
What are the key properties of 2-(cyclobutylmethyl)-6-fluoroaniline?
2-(cyclobutylmethyl)-6-fluoroaniline has a molecular weight of 179.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-6-fluoroaniline is sourced from PubChem (CID 105438233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).