N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C13H20F2N2O — CID 82006767

IUPACN-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COCC(F)F)nc1
InChIInChI=1S/C13H20F2N2O/c1-10(2)5-16-6-11-3-4-12(17-7-11)8-18-9-13(14)15/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3
InChIKeyAZVXXPKIVGBVIE-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.61
Rot. Bonds8

About N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 82006767) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID82006767
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC NameN-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COCC(F)F)nc1
InChIInChI=1S/C13H20F2N2O/c1-10(2)5-16-6-11-3-4-12(17-7-11)8-18-9-13(14)15/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3
InChIKeyAZVXXPKIVGBVIE-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
CID 103285679
[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
CID 82006174
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 106450090
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 82006767) is N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(COCC(F)F)nc1.
What is the InChIKey of N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AZVXXPKIVGBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-10(2)5-16-6-11-3-4-12(17-7-11)8-18-9-13(14)15/h3-4,7,10,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 258.31 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82006767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).