4-[(2,4,5-trifluorophenyl)methoxy]aniline

C13H10F3NO — CID 22137956

IUPAC4-[(2,4,5-trifluorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C13H10F3NO/c14-11-6-13(16)12(15)5-8(11)7-18-10-3-1-9(17)2-4-10/h1-6H,7,17H2
InChIKeyMAPNTAWEFDYCSU-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds3

About 4-[(2,4,5-trifluorophenyl)methoxy]aniline

4-[(2,4,5-trifluorophenyl)methoxy]aniline (PubChem CID 22137956) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[(2,4,5-trifluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(2,4,5-trifluorophenyl)methoxy]aniline
PubChem CID22137956
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[(2,4,5-trifluorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C13H10F3NO/c14-11-6-13(16)12(15)5-8(11)7-18-10-3-1-9(17)2-4-10/h1-6H,7,17H2
InChIKeyMAPNTAWEFDYCSU-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
CID 64768695
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,5-trifluorophenyl)methoxy]aniline?
The IUPAC name of 4-[(2,4,5-trifluorophenyl)methoxy]aniline (CID 22137956) is 4-[(2,4,5-trifluorophenyl)methoxy]aniline.
What is the SMILES notation for 4-[(2,4,5-trifluorophenyl)methoxy]aniline?
The canonical SMILES for 4-[(2,4,5-trifluorophenyl)methoxy]aniline is Nc1ccc(OCc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 4-[(2,4,5-trifluorophenyl)methoxy]aniline?
The InChIKey is MAPNTAWEFDYCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-11-6-13(16)12(15)5-8(11)7-18-10-3-1-9(17)2-4-10/h1-6H,7,17H2.
What are the key properties of 4-[(2,4,5-trifluorophenyl)methoxy]aniline?
4-[(2,4,5-trifluorophenyl)methoxy]aniline has a molecular weight of 253.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,5-trifluorophenyl)methoxy]aniline is sourced from PubChem (CID 22137956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).