2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine

C12H15F2N — CID 105406717

IUPAC2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC1(C(N)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2N/c1-12(2-3-12)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11H,2-3,6,15H2,1H3
InChIKeyZZUFNDSJSRKTAC-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.63
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine

2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine (PubChem CID 105406717) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine
PubChem CID105406717
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC1(C(N)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2N/c1-12(2-3-12)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11H,2-3,6,15H2,1H3
InChIKeyZZUFNDSJSRKTAC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine (CID 105406717) is 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine is CC1(C(N)Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine?
The InChIKey is ZZUFNDSJSRKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-12(2-3-12)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11H,2-3,6,15H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine?
2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 105406717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).