N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine

C11H15ClF2N2O — CID 82005702

IUPACN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O/c1-7(2)15-4-8-3-9(12)11(16-5-8)17-6-10(13)14/h3,5,7,10,15H,4,6H2,1-2H3
InChIKeyHJBZAAZFDJMMOB-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.88
Rot. Bonds6

About N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 82005702) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID82005702
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC NameN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O/c1-7(2)15-4-8-3-9(12)11(16-5-8)17-6-10(13)14/h3,5,7,10,15H,4,6H2,1-2H3
InChIKeyHJBZAAZFDJMMOB-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine (CID 82005702) is N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(OCC(F)F)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HJBZAAZFDJMMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O/c1-7(2)15-4-8-3-9(12)11(16-5-8)17-6-10(13)14/h3,5,7,10,15H,4,6H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 264.70 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 82005702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).