cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C13H19F3N2O — CID 169111641

IUPACcyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC1CC1.COCCNCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O.C3H6/c1-16-5-4-14-7-9-3-2-8(6-15-9)10(11,12)13;1-2-3-1/h2-3,6,14H,4-5,7H2,1H3;1-3H2
InChIKeyLFPQFCFTBVWNPI-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.01
Rot. Bonds5

About cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 169111641) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Namecyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID169111641
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Namecyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESC1CC1.COCCNCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O.C3H6/c1-16-5-4-14-7-9-3-2-8(6-15-9)10(11,12)13;1-2-3-1/h2-3,6,14H,4-5,7H2,1H3;1-3H2
InChIKeyLFPQFCFTBVWNPI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 169111641) is cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is C1CC1.COCCNCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is LFPQFCFTBVWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O.C3H6/c1-16-5-4-14-7-9-3-2-8(6-15-9)10(11,12)13;1-2-3-1/h2-3,6,14H,4-5,7H2,1H3;1-3H2.
What are the key properties of cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 276.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 169111641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).