[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine

C10H14F2N2O — CID 90118863

IUPAC[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)ncc1OCC(C)(F)F
InChIInChI=1S/C10H14F2N2O/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12/h3,5H,4,6,13H2,1-2H3
InChIKeyCPXZWDLNVTZCJD-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.88
Rot. Bonds4

About [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine

[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine (PubChem CID 90118863) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine
PubChem CID90118863
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)ncc1OCC(C)(F)F
InChIInChI=1S/C10H14F2N2O/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12/h3,5H,4,6,13H2,1-2H3
InChIKeyCPXZWDLNVTZCJD-UHFFFAOYSA-N
XLogP1.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine (CID 90118863) is [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine is Cc1cc(CN)ncc1OCC(C)(F)F.
What is the InChIKey of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine?
The InChIKey is CPXZWDLNVTZCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12/h3,5H,4,6,13H2,1-2H3.
What are the key properties of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine?
[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine has a molecular weight of 216.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 90118863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).