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

C12H17F3N2O — CID 66275313

IUPACN-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC(C)C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O/c1-3-6-16-7-10-4-5-11(17-8-10)18-9(2)12(13,14)15/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyLSPOPSPQEGVXNR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.91
Rot. Bonds6

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

N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 66275313) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID66275313
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC(C)C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O/c1-3-6-16-7-10-4-5-11(17-8-10)18-9(2)12(13,14)15/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyLSPOPSPQEGVXNR-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 66277354
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[[4-methoxy-3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 66276951
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine (CID 66275313) is N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OC(C)C(F)(F)F)nc1.
What is the InChIKey of N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is LSPOPSPQEGVXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-6-16-7-10-4-5-11(17-8-10)18-9(2)12(13,14)15/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 262.27 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 66275313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).