1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine

C12H16FN — CID 82235884

IUPAC1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)C2CC2)c1
InChIInChI=1S/C12H16FN/c1-8-3-6-11(13)10(7-8)12(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyZBBRFHOTRWUOHC-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.72
Rot. Bonds2

About 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine

1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 82235884) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID82235884
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)C2CC2)c1
InChIInChI=1S/C12H16FN/c1-8-3-6-11(13)10(7-8)12(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyZBBRFHOTRWUOHC-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine 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-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine (CID 82235884) is 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine is Cc1ccc(F)c(C(C)(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is ZBBRFHOTRWUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-6-11(13)10(7-8)12(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine?
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 193.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 82235884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).