N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine

C30H30F7N5O — CID 143436429

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 143436429) has the molecular formula C30H30F7N5O and a molecular weight of 609.59 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 143436429
• Molecular Formula: C30H30F7N5O
• Molecular Weight: 609.59 g/mol
• Exact Mass: 609.23
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine
• SMILES: COc1cc(F)c(C(C)C)cc1-c1cc(C)c(C)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1
• InChI: InChI=1S/C30H30F7N5O/c1-16(2)23-12-25(27(43-6)13-26(23)31)24-8-18(4)17(3)7-20(24)15-42(28-38-40-41(5)39-28)14-19-9-21(29(32,33)34)11-22(10-19)30(35,36)37/h7-13,16H,14-15H2,1-6H3
• InChIKey: DHSJEIFALGOIJO-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.59
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine (CID 143436429) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine is COc1cc(F)c(C(C)C)cc1-c1cc(C)c(C)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-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine?

The InChIKey is DHSJEIFALGOIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F7N5O/c1-16(2)23-12-25(27(43-6)13-26(23)31)24-8-18(4)17(3)7-20(24)15-42(28-38-40-41(5)39-28)14-19-9-21(29(32,33)34)11-22(10-19)30(35,36)37/h7-13,16H,14-15H2,1-6H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 609.59 g/mol, XLogP of 8.01, 8 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-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 143436429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).