N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine

C11H15ClF2N2O — CID 82007112

IUPACN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O/c1-2-3-15-5-8-4-9(12)11(16-6-8)17-7-10(13)14/h4,6,10,15H,2-3,5,7H2,1H3
InChIKeySDQZBSHIKSGWNP-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.88
Rot. Bonds7

About N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 82007112) 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-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID82007112
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC NameN-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C11H15ClF2N2O/c1-2-3-15-5-8-4-9(12)11(16-6-8)17-7-10(13)14/h4,6,10,15H,2-3,5,7H2,1H3
InChIKeySDQZBSHIKSGWNP-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 82005702
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 63488635
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 82007112) is N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(OCC(F)F)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is SDQZBSHIKSGWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O/c1-2-3-15-5-8-4-9(12)11(16-6-8)17-7-10(13)14/h4,6,10,15H,2-3,5,7H2,1H3.
What are the key properties of N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 264.70 g/mol, XLogP of 2.88, 7 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-1-amine is sourced from PubChem (CID 82007112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).