4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline

C24H16F6N2O2 — CID 146374167

IUPAC4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
SMILESNc1ccc(-c2cccc3c(-c4ccc(N)cc4OC(F)(F)F)cccc23)c(OC(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O2/c25-23(26,27)33-21-11-13(31)7-9-19(21)17-5-1-3-15-16(17)4-2-6-18(15)20-10-8-14(32)12-22(20)34-24(28,29)30/h1-12H,31-32H2
InChIKeyXOMJWLGECXCIGW-UHFFFAOYSA-N
MW478.39 g/mol
LogP7.14
Rot. Bonds4

About 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline

4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline (PubChem CID 146374167) has the molecular formula C24H16F6N2O2 and a molecular weight of 478.39 g/mol. Its IUPAC name is 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
PubChem CID146374167
Molecular FormulaC24H16F6N2O2
Molecular Weight478.39 g/mol
Exact Mass478.11
IUPAC Name4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
SMILESNc1ccc(-c2cccc3c(-c4ccc(N)cc4OC(F)(F)F)cccc23)c(OC(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O2/c25-23(26,27)33-21-11-13(31)7-9-19(21)17-5-1-3-15-16(17)4-2-6-18(15)20-10-8-14(32)12-22(20)34-24(28,29)30/h1-12H,31-32H2
InChIKeyXOMJWLGECXCIGW-UHFFFAOYSA-N
XLogP7.14
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
CID 176908298
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
4-[4-amino-2-(1,1,2,2,3,3,3-heptafluoropropoxy)phenyl]-3-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
CID 87342938
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-[4-amino-2-[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethoxy]phenyl]-3-[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethoxy]aniline
CID 87532325
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-prop-2-enoxy-3-(trifluoromethoxy)aniline
CID 68685743
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline?
The IUPAC name of 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline (CID 146374167) is 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline is Nc1ccc(-c2cccc3c(-c4ccc(N)cc4OC(F)(F)F)cccc23)c(OC(F)(F)F)c1.
What is the InChIKey of 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline?
The InChIKey is XOMJWLGECXCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O2/c25-23(26,27)33-21-11-13(31)7-9-19(21)17-5-1-3-15-16(17)4-2-6-18(15)20-10-8-14(32)12-22(20)34-24(28,29)30/h1-12H,31-32H2.
What are the key properties of 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline?
4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline has a molecular weight of 478.39 g/mol, XLogP of 7.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 146374167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).