N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine

C13H19F3N2O — CID 81250262

IUPACN-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(OC(C)C(F)(F)F)c(CNC(C)C)cn1
InChIInChI=1S/C13H19F3N2O/c1-8(2)17-6-11-7-18-9(3)5-12(11)19-10(4)13(14,15)16/h5,7-8,10,17H,6H2,1-4H3
InChIKeyOCXUDFGWAIPPCP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.22
Rot. Bonds5

About N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81250262) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81250262
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(OC(C)C(F)(F)F)c(CNC(C)C)cn1
InChIInChI=1S/C13H19F3N2O/c1-8(2)17-6-11-7-18-9(3)5-12(11)19-10(4)13(14,15)16/h5,7-8,10,17H,6H2,1-4H3
InChIKeyOCXUDFGWAIPPCP-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 81233559
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[6-methyl-4-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250738
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[(6-methyl-4-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 81253720
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81255097
N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 66276604
N-methyl-1-[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methanamine
CID 82792518
N-methyl-1-[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81254987
N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 55166973
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine (CID 81250262) is N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(OC(C)C(F)(F)F)c(CNC(C)C)cn1.
What is the InChIKey of N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is OCXUDFGWAIPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8(2)17-6-11-7-18-9(3)5-12(11)19-10(4)13(14,15)16/h5,7-8,10,17H,6H2,1-4H3.
What are the key properties of N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81250262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).