N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine

C11H14F2N2 — CID 155399186

IUPACN-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ccc(C(F)F)nc1)C1CC1
InChIInChI=1S/C11H14F2N2/c1-15(9-3-4-9)7-8-2-5-10(11(12)13)14-6-8/h2,5-6,9,11H,3-4,7H2,1H3
InChIKeyJWVUSNWMNGLGRH-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.61
Rot. Bonds4

About N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine

N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine (PubChem CID 155399186) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine
PubChem CID155399186
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC NameN-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ccc(C(F)F)nc1)C1CC1
InChIInChI=1S/C11H14F2N2/c1-15(9-3-4-9)7-8-2-5-10(11(12)13)14-6-8/h2,5-6,9,11H,3-4,7H2,1H3
InChIKeyJWVUSNWMNGLGRH-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine (CID 155399186) is N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine is CN(Cc1ccc(C(F)F)nc1)C1CC1.
What is the InChIKey of N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine?
The InChIKey is JWVUSNWMNGLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-15(9-3-4-9)7-8-2-5-10(11(12)13)14-6-8/h2,5-6,9,11H,3-4,7H2,1H3.
What are the key properties of N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine?
N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine has a molecular weight of 212.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 155399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).