N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline

C15H13F3N2 — CID 110841664

IUPACN-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESCc1cccc(C=NNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2/c1-11-4-2-5-12(8-11)10-19-20-14-7-3-6-13(9-14)15(16,17)18/h2-10,20H,1H3
InChIKeyMLRBKNWIWKEFIJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.46
Rot. Bonds3

About N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline

N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline (PubChem CID 110841664) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
PubChem CID110841664
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC NameN-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESCc1cccc(C=NNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2/c1-11-4-2-5-12(8-11)10-19-20-14-7-3-6-13(9-14)15(16,17)18/h2-10,20H,1H3
InChIKeyMLRBKNWIWKEFIJ-UHFFFAOYSA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841663
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060518
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110511816
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674
ethyl 2-[2-methoxy-4-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetate
CID 19656010

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline (CID 110841664) is N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline is Cc1cccc(C=NNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The InChIKey is MLRBKNWIWKEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c1-11-4-2-5-12(8-11)10-19-20-14-7-3-6-13(9-14)15(16,17)18/h2-10,20H,1H3.
What are the key properties of N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline?
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline has a molecular weight of 278.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110841664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).