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

C10H13F3N2O — CID 63985875

IUPAC3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-16-9-4-2-3-8(15-9)7-14-6-5-10(11,12)13/h2-4,14H,5-7H2,1H3
InChIKeyVLMQGYANNFGQTK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.13
Rot. Bonds5

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

3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 63985875) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID63985875
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-16-9-4-2-3-8(15-9)7-14-6-5-10(11,12)13/h2-4,14H,5-7H2,1H3
InChIKeyVLMQGYANNFGQTK-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.13
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 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (CID 63985875) is 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is COc1cccc(CNCCC(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is VLMQGYANNFGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-9-4-2-3-8(15-9)7-14-6-5-10(11,12)13/h2-4,14H,5-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 234.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63985875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).