2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline

C21H16F6N2 — CID 146643122

IUPAC2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1C(c1ccccc1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C21H16F6N2/c22-20(23,24)13-6-8-17(28)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21(25,26)27)7-9-18(16)29/h1-11,19H,28-29H2
InChIKeyWLLQPUZIVPONEH-UHFFFAOYSA-N
MW410.36 g/mol
LogP6.07
Rot. Bonds3

About 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline

2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline (PubChem CID 146643122) has the molecular formula C21H16F6N2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
PubChem CID146643122
Molecular FormulaC21H16F6N2
Molecular Weight410.36 g/mol
Exact Mass410.12
IUPAC Name2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1C(c1ccccc1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C21H16F6N2/c22-20(23,24)13-6-8-17(28)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21(25,26)27)7-9-18(16)29/h1-11,19H,28-29H2
InChIKeyWLLQPUZIVPONEH-UHFFFAOYSA-N
XLogP6.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline
CID 105264842
[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
CID 115911656
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
CID 115911628
3-[2-amino-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanenitrile
CID 171870881
2-[2-amino-5-(trifluoromethyl)phenyl]hept-5-ynoic acid
CID 106988161
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
CID 106645175
1-[2-amino-5-(trifluoromethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874743
2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)aniline
CID 175665536
4-benzhydrylbenzene-1,2-diamine
CID 154281140

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline (CID 146643122) is 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1C(c1ccccc1)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline?
The InChIKey is WLLQPUZIVPONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2/c22-20(23,24)13-6-8-17(28)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21(25,26)27)7-9-18(16)29/h1-11,19H,28-29H2.
What are the key properties of 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline?
2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline has a molecular weight of 410.36 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 146643122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).