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

C13H19F3N2O — CID 106908609

IUPACN-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O/c1-2-7-17-9-11-4-3-5-12(18-11)10-19-8-6-13(14,15)16/h3-5,17H,2,6-10H2,1H3
InChIKeyHRDKIXVJTJCSDN-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.05
Rot. Bonds8

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

N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106908609) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106908609
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O/c1-2-7-17-9-11-4-3-5-12(18-11)10-19-8-6-13(14,15)16/h3-5,17H,2,6-10H2,1H3
InChIKeyHRDKIXVJTJCSDN-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
CID 82957468
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908474
2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 169173385
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908350

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106908609) is N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COCCC(F)(F)F)n1.
What is the InChIKey of N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is HRDKIXVJTJCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-7-17-9-11-4-3-5-12(18-11)10-19-8-6-13(14,15)16/h3-5,17H,2,6-10H2,1H3.
What are the key properties of N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106908609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).