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

C15H14F3NO — CID 62810857

IUPACN-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline
SMILESCCOc1ccc(CNc2cc(F)cc(F)c2F)cc1
InChIInChI=1S/C15H14F3NO/c1-2-20-12-5-3-10(4-6-12)9-19-14-8-11(16)7-13(17)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyOVAYMELTYYSQAF-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.11
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline (PubChem CID 62810857) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline
PubChem CID62810857
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline
SMILESCCOc1ccc(CNc2cc(F)cc(F)c2F)cc1
InChIInChI=1S/C15H14F3NO/c1-2-20-12-5-3-10(4-6-12)9-19-14-8-11(16)7-13(17)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyOVAYMELTYYSQAF-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
N-[(3-bromo-4-fluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 62809903
2-methoxy-5-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810508
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(3-chloro-5-fluorophenyl)methyl]-4-ethoxy-2-methylaniline
CID 114452686
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline (CID 62810857) is N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline is CCOc1ccc(CNc2cc(F)cc(F)c2F)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline?
The InChIKey is OVAYMELTYYSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-20-12-5-3-10(4-6-12)9-19-14-8-11(16)7-13(17)15(14)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline?
N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline has a molecular weight of 281.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline is sourced from PubChem (CID 62810857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).