[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine

C14H15F3N2O — CID 69036501

IUPAC[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine
SMILESCN1CC(c2ccc(OC(F)(F)F)cc2)=CC=C1CN
InChIInChI=1S/C14H15F3N2O/c1-19-9-11(2-5-12(19)8-18)10-3-6-13(7-4-10)20-14(15,16)17/h2-7H,8-9,18H2,1H3
InChIKeyFVSRHZJXKXUWKW-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.76
Rot. Bonds3

About [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine

[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine (PubChem CID 69036501) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine
PubChem CID69036501
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine
SMILESCN1CC(c2ccc(OC(F)(F)F)cc2)=CC=C1CN
InChIInChI=1S/C14H15F3N2O/c1-19-9-11(2-5-12(19)8-18)10-3-6-13(7-4-10)20-14(15,16)17/h2-7H,8-9,18H2,1H3
InChIKeyFVSRHZJXKXUWKW-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine?
The IUPAC name of [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine (CID 69036501) is [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine.
What is the SMILES notation for [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine?
The canonical SMILES for [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine is CN1CC(c2ccc(OC(F)(F)F)cc2)=CC=C1CN.
What is the InChIKey of [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine?
The InChIKey is FVSRHZJXKXUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-19-9-11(2-5-12(19)8-18)10-3-6-13(7-4-10)20-14(15,16)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine?
[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine has a molecular weight of 284.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine is sourced from PubChem (CID 69036501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).