N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H14F3N3 — CID 4854807

IUPACN-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(C=NNc2ccc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C15H14F3N3/c1-10-3-4-12(11(2)7-10)8-20-21-14-6-5-13(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21)
InChIKeyJNKRUFQDJFTWHT-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.16
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 4854807) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID4854807
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC NameN-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(C=NNc2ccc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C15H14F3N3/c1-10-3-4-12(11(2)7-10)8-20-21-14-6-5-13(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21)
InChIKeyJNKRUFQDJFTWHT-UHFFFAOYSA-N
XLogP4.16
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126075676
N-[[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 2322247
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[(Z)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126110569
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 136732774
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 50864991
N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126106857
4-bromo-2-nitro-6-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 137043402

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 4854807) is N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JNKRUFQDJFTWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-10-3-4-12(11(2)7-10)8-20-21-14-6-5-13(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 293.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 4854807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).