About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 24853206) has the molecular formula C28H24F9N5O
and a molecular weight of 617.52 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.
Molecular Properties
| Compound Name | N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine |
|---|
| PubChem CID | 24853206 |
|---|
| Molecular Formula | C28H24F9N5O |
|---|
| Molecular Weight | 617.52 g/mol |
|---|
| Exact Mass | 617.18 |
|---|
| IUPAC Name | N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine |
|---|
| SMILES | COC(Cc1ccccc1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1 |
|---|
| InChI | InChI=1S/C28H24F9N5O/c1-41-39-25(38-40-41)42(15-18-10-21(27(32,33)34)14-22(11-18)28(35,36)37)16-19-13-20(26(29,30)31)8-9-23(19)24(43-2)12-17-6-4-3-5-7-17/h3-11,13-14,24H,12,15-16H2,1-2H3 |
|---|
| InChIKey | VHJWHKRTPANOHS-UHFFFAOYSA-N |
|---|
| XLogP | 7.40 |
|---|
| TPSA | 56.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 617.52 |
| LogP ≤ 5 | 7.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 24853206) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is COC(Cc1ccccc1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The InChIKey is VHJWHKRTPANOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F9N5O/c1-41-39-25(38-40-41)42(15-18-10-21(27(32,33)34)14-22(11-18)28(35,36)37)16-19-13-20(26(29,30)31)8-9-23(19)24(43-2)12-17-6-4-3-5-7-17/h3-11,13-14,24H,12,15-16H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 617.52 g/mol, XLogP of 7.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(1-methoxy-2-phenylethyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 24853206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).