2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline

C15H16F2N2O — CID 103585743

IUPAC2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
SMILESCOc1cc(C)nc(CNc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-9-4-14(17)15(7-13(9)16)18-8-11-6-12(20-3)5-10(2)19-11/h4-7,18H,8H2,1-3H3
InChIKeyPYLNFWLUHZPWKR-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.60
Rot. Bonds4

About 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline

2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline (PubChem CID 103585743) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
PubChem CID103585743
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
SMILESCOc1cc(C)nc(CNc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-9-4-14(17)15(7-13(9)16)18-8-11-6-12(20-3)5-10(2)19-11/h4-7,18H,8H2,1-3H3
InChIKeyPYLNFWLUHZPWKR-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline (CID 103585743) is 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline is COc1cc(C)nc(CNc2cc(F)c(C)cc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
The InChIKey is PYLNFWLUHZPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-9-4-14(17)15(7-13(9)16)18-8-11-6-12(20-3)5-10(2)19-11/h4-7,18H,8H2,1-3H3.
What are the key properties of 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline?
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline has a molecular weight of 278.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline is sourced from PubChem (CID 103585743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).