N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine

C12H14F3N — CID 62965835

IUPACN-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3N/c1-16-10-4-2-3-7(10)8-5-6-9(13)12(15)11(8)14/h5-7,10,16H,2-4H2,1H3
InChIKeyPIHPBPRZUYJQKA-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.96
Rot. Bonds2

About N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine

N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine (PubChem CID 62965835) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
PubChem CID62965835
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3N/c1-16-10-4-2-3-7(10)8-5-6-9(13)12(15)11(8)14/h5-7,10,16H,2-4H2,1H3
InChIKeyPIHPBPRZUYJQKA-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.96
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-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine (CID 62965835) is N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine is CNC1CCCC1c1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine?
The InChIKey is PIHPBPRZUYJQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-16-10-4-2-3-7(10)8-5-6-9(13)12(15)11(8)14/h5-7,10,16H,2-4H2,1H3.
What are the key properties of N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine?
N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 62965835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).