N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline

C20H16F3NO — CID 23393373

IUPACN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)16-6-8-17(9-7-16)24-18-10-12-19(13-11-18)25-14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeySCXHCLOVIKITBP-UHFFFAOYSA-N
MW343.35 g/mol
LogP6.03
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline

N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline (PubChem CID 23393373) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
PubChem CID23393373
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)16-6-8-17(9-7-16)24-18-10-12-19(13-11-18)25-14-15-4-2-1-3-5-15/h1-13,24H,14H2
InChIKeySCXHCLOVIKITBP-UHFFFAOYSA-N
XLogP6.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
N-[4-(3-chloropropoxy)phenyl]-4-(trifluoromethyl)aniline
CID 23393376
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline (CID 23393373) is N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline?
The InChIKey is SCXHCLOVIKITBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c21-20(22,23)16-6-8-17(9-7-16)24-18-10-12-19(13-11-18)25-14-15-4-2-1-3-5-15/h1-13,24H,14H2.
What are the key properties of N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline?
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline has a molecular weight of 343.35 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 23393373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).