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

C15H14F3N — CID 55118736

IUPACN-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
SMILESCCc1ccccc1CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-2-10-5-3-4-6-11(10)9-19-12-7-13(16)15(18)14(17)8-12/h3-8,19H,2,9H2,1H3
InChIKeyMSZBBAGEIDILSJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.28
Rot. Bonds4

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

N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline (PubChem CID 55118736) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
PubChem CID55118736
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
SMILESCCc1ccccc1CNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-2-10-5-3-4-6-11(10)9-19-12-7-13(16)15(18)14(17)8-12/h3-8,19H,2,9H2,1H3
InChIKeyMSZBBAGEIDILSJ-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.28
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

2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
3,4,5-trifluoro-N-[(2-nitrophenyl)methyl]aniline
CID 62811341
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
3-N-[(2-ethylphenyl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80827494
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline (CID 55118736) is N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline is CCc1ccccc1CNc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline?
The InChIKey is MSZBBAGEIDILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-10-5-3-4-6-11(10)9-19-12-7-13(16)15(18)14(17)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline?
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline has a molecular weight of 265.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline is sourced from PubChem (CID 55118736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).