[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine

C12H15ClFN — CID 117327861

IUPAC[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(CF)cc2Cl)CCC1
InChIInChI=1S/C12H15ClFN/c13-11-6-9(7-14)2-3-10(11)12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyUGDODLVQTQFKAB-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.19
Rot. Bonds3

About [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine

[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117327861) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117327861
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(CF)cc2Cl)CCC1
InChIInChI=1S/C12H15ClFN/c13-11-6-9(7-14)2-3-10(11)12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyUGDODLVQTQFKAB-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117393045
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117456606
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine (CID 117327861) is [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine is NCC1(c2ccc(CF)cc2Cl)CCC1.
What is the InChIKey of [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is UGDODLVQTQFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-6-9(7-14)2-3-10(11)12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2.
What are the key properties of [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 227.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117327861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).