1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine

C14H21FN2 — CID 143003247

IUPAC1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCCc1c(C)ccc(N2CCC(NC)C2)c1F
InChIInChI=1S/C14H21FN2/c1-4-12-10(2)5-6-13(14(12)15)17-8-7-11(9-17)16-3/h5-6,11,16H,4,7-9H2,1-3H3
InChIKeyGJHIJLDZOQILBF-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine

1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 143003247) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine
PubChem CID143003247
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCCc1c(C)ccc(N2CCC(NC)C2)c1F
InChIInChI=1S/C14H21FN2/c1-4-12-10(2)5-6-13(14(12)15)17-8-7-11(9-17)16-3/h5-6,11,16H,4,7-9H2,1-3H3
InChIKeyGJHIJLDZOQILBF-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine (CID 143003247) is 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine is CCc1c(C)ccc(N2CCC(NC)C2)c1F.
What is the InChIKey of 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is GJHIJLDZOQILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-12-10(2)5-6-13(14(12)15)17-8-7-11(9-17)16-3/h5-6,11,16H,4,7-9H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine?
1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-fluoro-4-methylphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 143003247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).