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

C12H18F2N2O — CID 82007221

IUPACN-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(F)F)nc1C
InChIInChI=1S/C12H18F2N2O/c1-3-6-15-7-10-4-5-12(16-9(10)2)17-8-11(13)14/h4-5,11,15H,3,6-8H2,1-2H3
InChIKeyICVCUQYVNJACLF-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.53
Rot. Bonds7

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

N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 82007221) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID82007221
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC NameN-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(F)F)nc1C
InChIInChI=1S/C12H18F2N2O/c1-3-6-15-7-10-4-5-12(16-9(10)2)17-8-11(13)14/h4-5,11,15H,3,6-8H2,1-2H3
InChIKeyICVCUQYVNJACLF-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.53
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-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82453137
2-methyl-N-[[2-methyl-6-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285420
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427034
N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82832289
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine (CID 82007221) is N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCC(F)F)nc1C.
What is the InChIKey of N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is ICVCUQYVNJACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-3-6-15-7-10-4-5-12(16-9(10)2)17-8-11(13)14/h4-5,11,15H,3,6-8H2,1-2H3.
What are the key properties of N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 244.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 82007221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).