6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C14H14F3N3O — CID 102717295

IUPAC6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOc1ccccc1CNc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)8-19-13-7-10(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyBNUCBUHQTDRHLZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.30
Rot. Bonds4

About 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717295) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717295
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOc1ccccc1CNc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)8-19-13-7-10(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyBNUCBUHQTDRHLZ-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
CID 29285978
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717295) is 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is COc1ccccc1CNc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is BNUCBUHQTDRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)8-19-13-7-10(14(15,16)17)6-12(18)20-13/h2-7H,8H2,1H3,(H3,18,19,20).
What are the key properties of 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).