3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine

C12H16F2N2 — CID 86716400

IUPAC3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine
SMILESNCC(CC1CC1)c1ccc(C(F)F)nc1
InChIInChI=1S/C12H16F2N2/c13-12(14)11-4-3-9(7-16-11)10(6-15)5-8-1-2-8/h3-4,7-8,10,12H,1-2,5-6,15H2
InChIKeyVVWJDHLQAUZEBO-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.86
Rot. Bonds5

About 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine

3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 86716400) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID86716400
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine
SMILESNCC(CC1CC1)c1ccc(C(F)F)nc1
InChIInChI=1S/C12H16F2N2/c13-12(14)11-4-3-9(7-16-11)10(6-15)5-8-1-2-8/h3-4,7-8,10,12H,1-2,5-6,15H2
InChIKeyVVWJDHLQAUZEBO-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine (CID 86716400) is 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine is NCC(CC1CC1)c1ccc(C(F)F)nc1.
What is the InChIKey of 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is VVWJDHLQAUZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)11-4-3-9(7-16-11)10(6-15)5-8-1-2-8/h3-4,7-8,10,12H,1-2,5-6,15H2.
What are the key properties of 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine?
3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 226.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[6-(difluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 86716400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).