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

C13H20F2N2O — CID 151855851

IUPACN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)cnc1OCC(F)F
InChIInChI=1S/C13H20F2N2O/c1-8(2)17-10(4)11-5-9(3)13(16-6-11)18-7-12(14)15/h5-6,8,10,12,17H,7H2,1-4H3
InChIKeySJQYUFKXRCJMTF-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.09
Rot. Bonds6

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

N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine (PubChem CID 151855851) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine
PubChem CID151855851
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC NameN-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)cnc1OCC(F)F
InChIInChI=1S/C13H20F2N2O/c1-8(2)17-10(4)11-5-9(3)13(16-6-11)18-7-12(14)15/h5-6,8,10,12,17H,7H2,1-4H3
InChIKeySJQYUFKXRCJMTF-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
3-[[(2S)-azetidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 18391706
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-[[(2S)-azetidin-2-yl]methoxy]-5-propylpyridine
CID 44327092
3-[[(2S)-azetidin-2-yl]methoxy]-5-ethylpyridine
CID 44327414
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
US10544120, Example 197
CID 140794468
US11045457, Example 110
CID 146401856

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine (CID 151855851) is N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine is Cc1cc(C(C)NC(C)C)cnc1OCC(F)F.
What is the InChIKey of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine?
The InChIKey is SJQYUFKXRCJMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-8(2)17-10(4)11-5-9(3)13(16-6-11)18-7-12(14)15/h5-6,8,10,12,17H,7H2,1-4H3.
What are the key properties of N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine?
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine has a molecular weight of 258.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine is sourced from PubChem (CID 151855851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).