3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline

C14H12F3NO — CID 62809233

IUPAC3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C14H12F3NO/c1-19-11-4-2-9(3-5-11)8-18-10-6-12(15)14(17)13(16)7-10/h2-7,18H,8H2,1H3
InChIKeyCVFRDLVVDHASDJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.72
Rot. Bonds4

About 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline

3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 62809233) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID62809233
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C14H12F3NO/c1-19-11-4-2-9(3-5-11)8-18-10-6-12(15)14(17)13(16)7-10/h2-7,18H,8H2,1H3
InChIKeyCVFRDLVVDHASDJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
methyl 4-[(3,4,5-trifluoroanilino)methyl]benzoate
CID 62809754
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
[[2-fluoro-4-[(4-methoxyphenyl)methylamino]phenyl]-hydroxymethylidene]-methylazanium
CID 146771473
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213
5-[(4-methoxyphenyl)methylamino]benzene-1,3-dicarbonitrile
CID 174921952
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline (CID 62809233) is 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is CVFRDLVVDHASDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-11-4-2-9(3-5-11)8-18-10-6-12(15)14(17)13(16)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline?
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 267.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 62809233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).