N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine

C12H14F3N — CID 81016865

IUPACN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
SMILESCNCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3N/c1-16-6-7-2-3-8(7)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyMPGNKRMORTXHOR-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine

N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine (PubChem CID 81016865) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
PubChem CID81016865
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
SMILESCNCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3N/c1-16-6-7-2-3-8(7)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyMPGNKRMORTXHOR-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine (CID 81016865) is N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine is CNCC1CCC1c1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The InChIKey is MPGNKRMORTXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-16-6-7-2-3-8(7)9-4-5-10(13)12(15)11(9)14/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine has a molecular weight of 229.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 81016865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).