N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline

C15H14F3N — CID 62809302

IUPACN-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
SMILESCc1cccc(CNc2cc(F)c(F)c(F)c2)c1C
InChIInChI=1S/C15H14F3N/c1-9-4-3-5-11(10(9)2)8-19-12-6-13(16)15(18)14(17)7-12/h3-7,19H,8H2,1-2H3
InChIKeyJAXPDBBJKGDVHC-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.33
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline

N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline (PubChem CID 62809302) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
PubChem CID62809302
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
SMILESCc1cccc(CNc2cc(F)c(F)c(F)c2)c1C
InChIInChI=1S/C15H14F3N/c1-9-4-3-5-11(10(9)2)8-19-12-6-13(16)15(18)14(17)7-12/h3-7,19H,8H2,1-2H3
InChIKeyJAXPDBBJKGDVHC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
CID 55198820
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
3,4,5-trifluoro-N-[(2-nitrophenyl)methyl]aniline
CID 62811341

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline (CID 62809302) is N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline is Cc1cccc(CNc2cc(F)c(F)c(F)c2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline?
The InChIKey is JAXPDBBJKGDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-4-3-5-11(10(9)2)8-19-12-6-13(16)15(18)14(17)7-12/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline?
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline has a molecular weight of 265.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline is sourced from PubChem (CID 62809302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).