2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline

C20H16F3NO2 — CID 171921767

IUPAC2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-9-6-15(7-10-17)16-8-11-18(24)19(12-16)25-13-14-4-2-1-3-5-14/h1-12H,13,24H2
InChIKeyDSLQULKLWGIWEF-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.41
Rot. Bonds5

About 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline

2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 171921767) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID171921767
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-9-6-15(7-10-17)16-8-11-18(24)19(12-16)25-13-14-4-2-1-3-5-14/h1-12H,13,24H2
InChIKeyDSLQULKLWGIWEF-UHFFFAOYSA-N
XLogP5.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 58008111
2-(4-phenylbutoxy)-5-[4-(trifluoromethoxy)phenyl]aniline
CID 58007705
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176232
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
4-iodo-2-phenylmethoxyaniline
CID 66756754
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline (CID 171921767) is 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is DSLQULKLWGIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)26-17-9-6-15(7-10-17)16-8-11-18(24)19(12-16)25-13-14-4-2-1-3-5-14/h1-12H,13,24H2.
What are the key properties of 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline?
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 359.35 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 171921767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).