N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline

C16H16F3NO2 — CID 54803252

IUPACN-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
SMILESCOc1ccccc1OCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c1-21-14-7-2-3-8-15(14)22-10-9-20-13-6-4-5-12(11-13)16(17,18)19/h2-8,11,20H,9-10H2,1H3
InChIKeyHFDIIHAUQATSLR-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline

N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 54803252) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
PubChem CID54803252
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
SMILESCOc1ccccc1OCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c1-21-14-7-2-3-8-15(14)22-10-9-20-13-6-4-5-12(11-13)16(17,18)19/h2-8,11,20H,9-10H2,1H3
InChIKeyHFDIIHAUQATSLR-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
CID 103178330
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 9014536
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100751248
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
3-bromo-5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 82861158
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline (CID 54803252) is N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline is COc1ccccc1OCCNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is HFDIIHAUQATSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-14-7-2-3-8-15(14)22-10-9-20-13-6-4-5-12(11-13)16(17,18)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline?
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 311.30 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 54803252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).