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

C12H15F2N — CID 112567042

IUPAC2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(F)(CN)C1CC1
InChIInChI=1S/C12H15F2N/c1-8-2-5-10(13)6-11(8)12(14,7-15)9-3-4-9/h2,5-6,9H,3-4,7,15H2,1H3
InChIKeyTWMURJGLPYJOTM-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.67
Rot. Bonds3

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

2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 112567042) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID112567042
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(F)(CN)C1CC1
InChIInChI=1S/C12H15F2N/c1-8-2-5-10(13)6-11(8)12(14,7-15)9-3-4-9/h2,5-6,9H,3-4,7,15H2,1H3
InChIKeyTWMURJGLPYJOTM-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine (CID 112567042) is 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1C(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is TWMURJGLPYJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-2-5-10(13)6-11(8)12(14,7-15)9-3-4-9/h2,5-6,9H,3-4,7,15H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 112567042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).