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

C14H14F3N3O — CID 177043715

IUPAC4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1ccc(CNc2cc(N)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-11-4-2-9(3-5-11)8-19-10-6-12(14(15,16)17)20-13(18)7-10/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyFIENVZUXTNBRIT-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.30
Rot. Bonds4

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

4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 177043715) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID177043715
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1ccc(CNc2cc(N)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-11-4-2-9(3-5-11)8-19-10-6-12(14(15,16)17)20-13(18)7-10/h2-7H,8H2,1H3,(H3,18,19,20)
InChIKeyFIENVZUXTNBRIT-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

4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
5-[(4-methoxyphenyl)methylamino]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 25020034
N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100660094
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
CID 24734019

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine (CID 177043715) is 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine is COc1ccc(CNc2cc(N)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is FIENVZUXTNBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-11-4-2-9(3-5-11)8-19-10-6-12(14(15,16)17)20-13(18)7-10/h2-7H,8H2,1H3,(H3,18,19,20).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-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 4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 177043715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).