2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline

C27H23F3N2 — CID 159263001

IUPAC2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline
SMILESCc1ccc(N)c(C(c2ccccc2)(c2ccccc2)c2cc(C(F)(F)F)ccc2N)c1
InChIInChI=1S/C27H23F3N2/c1-18-12-14-24(31)22(16-18)26(19-8-4-2-5-9-19,20-10-6-3-7-11-20)23-17-21(27(28,29)30)13-15-25(23)32/h2-17H,31-32H2,1H3
InChIKeyZMPISHBUWNQCQA-UHFFFAOYSA-N
MW432.49 g/mol
LogP6.56
Rot. Bonds4

About 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline

2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline (PubChem CID 159263001) has the molecular formula C27H23F3N2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline.

Molecular Properties

Compound Name2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline
PubChem CID159263001
Molecular FormulaC27H23F3N2
Molecular Weight432.49 g/mol
Exact Mass432.18
IUPAC Name2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline
SMILESCc1ccc(N)c(C(c2ccccc2)(c2ccccc2)c2cc(C(F)(F)F)ccc2N)c1
InChIInChI=1S/C27H23F3N2/c1-18-12-14-24(31)22(16-18)26(19-8-4-2-5-9-19,20-10-6-3-7-11-20)23-17-21(27(28,29)30)13-15-25(23)32/h2-17H,31-32H2,1H3
InChIKeyZMPISHBUWNQCQA-UHFFFAOYSA-N
XLogP6.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 56.56
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

4-methyl-2-(trifluoromethyl)aniline
CID 2737710
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
4-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 164681997
4-[2-[[N-methyl-3-(trifluoromethyl)anilino]-phenylphosphoryl]propan-2-yl]-2-(trifluoromethyl)aniline
CID 175133086
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206
4-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]aniline
CID 79142990
ethane;toluene;trifluoromethylbenzene
CID 161105309
aniline;3-(trifluoromethyl)aniline
CID 160634583
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline?
The IUPAC name of 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline (CID 159263001) is 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline.
What is the SMILES notation for 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline?
The canonical SMILES for 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline is Cc1ccc(N)c(C(c2ccccc2)(c2ccccc2)c2cc(C(F)(F)F)ccc2N)c1.
What is the InChIKey of 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline?
The InChIKey is ZMPISHBUWNQCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2/c1-18-12-14-24(31)22(16-18)26(19-8-4-2-5-9-19,20-10-6-3-7-11-20)23-17-21(27(28,29)30)13-15-25(23)32/h2-17H,31-32H2,1H3.
What are the key properties of 2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline?
2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline has a molecular weight of 432.49 g/mol, XLogP of 6.56, 4 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]-diphenylmethyl]-4-methylaniline is sourced from PubChem (CID 159263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).