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

C13H16F3N — CID 81034120

IUPACN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
SMILESCNCC1CCCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-17-7-8-3-2-4-9(8)10-5-6-11(14)13(16)12(10)15/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyDITJJDACXIRUAC-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.21
Rot. Bonds3

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

N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine (PubChem CID 81034120) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
PubChem CID81034120
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
SMILESCNCC1CCCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-17-7-8-3-2-4-9(8)10-5-6-11(14)13(16)12(10)15/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyDITJJDACXIRUAC-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine (CID 81034120) is N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine is CNCC1CCCC1c1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine?
The InChIKey is DITJJDACXIRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-17-7-8-3-2-4-9(8)10-5-6-11(14)13(16)12(10)15/h5-6,8-9,17H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine?
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 3.21, 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)cyclopentyl]methanamine is sourced from PubChem (CID 81034120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).