2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine

C14H12F4N2O — CID 133372087

IUPAC2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1C
InChIInChI=1S/C14H12F4N2O/c1-7-5-8(3-4-9(7)21-2)6-19-12-10(15)13(17)20-14(18)11(12)16/h3-5H,6H2,1-2H3,(H,19,20)
InChIKeyWKILSDDRJDKNGL-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.57
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine (PubChem CID 133372087) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
PubChem CID133372087
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1C
InChIInChI=1S/C14H12F4N2O/c1-7-5-8(3-4-9(7)21-2)6-19-12-10(15)13(17)20-14(18)11(12)16/h3-5H,6H2,1-2H3,(H,19,20)
InChIKeyWKILSDDRJDKNGL-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371984
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 22640045

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine (CID 133372087) is 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine is COc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1C.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine?
The InChIKey is WKILSDDRJDKNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-7-5-8(3-4-9(7)21-2)6-19-12-10(15)13(17)20-14(18)11(12)16/h3-5H,6H2,1-2H3,(H,19,20).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine has a molecular weight of 300.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133372087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).