4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline

C24H16F6N2 — CID 146374122

IUPAC4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc3cccc(-c4ccc(N)cc4C(F)(F)F)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2/c25-23(26,27)21-11-15(31)6-8-17(21)14-5-4-13-2-1-3-18(20(13)10-14)19-9-7-16(32)12-22(19)24(28,29)30/h1-12H,31-32H2
InChIKeyGEORVJIIHDPAGY-UHFFFAOYSA-N
MW446.39 g/mol
LogP7.38
Rot. Bonds2

About 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline

4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline (PubChem CID 146374122) has the molecular formula C24H16F6N2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline
PubChem CID146374122
Molecular FormulaC24H16F6N2
Molecular Weight446.39 g/mol
Exact Mass446.12
IUPAC Name4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc3cccc(-c4ccc(N)cc4C(F)(F)F)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2/c25-23(26,27)21-11-15(31)6-8-17(21)14-5-4-13-2-1-3-18(20(13)10-14)19-9-7-16(32)12-22(19)24(28,29)30/h1-12H,31-32H2
InChIKeyGEORVJIIHDPAGY-UHFFFAOYSA-N
XLogP7.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
4-[4-(4-amino-2-fluorophenyl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
CID 145340486
azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807
4-[4-[4-[4-amino-2-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylaniline
CID 170266599
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213092
4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
CID 172651572
4,11-bis[4-amino-2-(trifluoromethyl)phenyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 146369155
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 59863067
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
CID 141324145
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline (CID 146374122) is 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline is Nc1ccc(-c2ccc3cccc(-c4ccc(N)cc4C(F)(F)F)c3c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline?
The InChIKey is GEORVJIIHDPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2/c25-23(26,27)21-11-15(31)6-8-17(21)14-5-4-13-2-1-3-18(20(13)10-14)19-9-7-16(32)12-22(19)24(28,29)30/h1-12H,31-32H2.
What are the key properties of 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline?
4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline has a molecular weight of 446.39 g/mol, XLogP of 7.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-amino-2-(trifluoromethyl)phenyl]naphthalen-2-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 146374122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).