[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine

C12H15ClFN — CID 82802127

IUPAC[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
SMILESCC1CCC1(CN)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyFVMVNTMKFPWFOK-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.11
Rot. Bonds2

About [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine

[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine (PubChem CID 82802127) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
PubChem CID82802127
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine
SMILESCC1CCC1(CN)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyFVMVNTMKFPWFOK-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine (CID 82802127) is [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine is CC1CCC1(CN)c1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
The InChIKey is FVMVNTMKFPWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-5-6-12(8,7-15)9-3-2-4-10(13)11(9)14/h2-4,8H,5-7,15H2,1H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine?
[1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine has a molecular weight of 227.71 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-2-methylcyclobutyl]methanamine is sourced from PubChem (CID 82802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).