[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine

C16H17F3N2O — CID 46238538

IUPAC[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
SMILESCCCOc1ccc(-c2cccc(CN)n2)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-2-8-22-15-7-6-11(9-13(15)16(17,18)19)14-5-3-4-12(10-20)21-14/h3-7,9H,2,8,10,20H2,1H3
InChIKeySNWRFIWKSVEISM-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.01
Rot. Bonds5

About [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine

[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine (PubChem CID 46238538) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
PubChem CID46238538
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
SMILESCCCOc1ccc(-c2cccc(CN)n2)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-2-8-22-15-7-6-11(9-13(15)16(17,18)19)14-5-3-4-12(10-20)21-14/h3-7,9H,2,8,10,20H2,1H3
InChIKeySNWRFIWKSVEISM-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine (CID 46238538) is [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine is CCCOc1ccc(-c2cccc(CN)n2)cc1C(F)(F)F.
What is the InChIKey of [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The InChIKey is SNWRFIWKSVEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-2-8-22-15-7-6-11(9-13(15)16(17,18)19)14-5-3-4-12(10-20)21-14/h3-7,9H,2,8,10,20H2,1H3.
What are the key properties of [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
[6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine has a molecular weight of 310.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-propoxy-3-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 46238538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).