N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine

C24H25F3N2 — CID 71661925

IUPACN-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(c1ccc(C(C)(C)C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N2/c1-16-6-5-15-28-22(16)29-21(17-7-11-19(12-8-17)23(2,3)4)18-9-13-20(14-10-18)24(25,26)27/h5-15,21H,1-4H3,(H,28,29)
InChIKeyVZFQTIRSFGQUBP-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.91
Rot. Bonds4

About N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine

N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine (PubChem CID 71661925) has the molecular formula C24H25F3N2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
PubChem CID71661925
Molecular FormulaC24H25F3N2
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC NameN-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(c1ccc(C(C)(C)C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N2/c1-16-6-5-15-28-22(16)29-21(17-7-11-19(12-8-17)23(2,3)4)18-9-13-20(14-10-18)24(25,26)27/h5-15,21H,1-4H3,(H,28,29)
InChIKeyVZFQTIRSFGQUBP-UHFFFAOYSA-N
XLogP6.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine (CID 71661925) is N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine is Cc1cccnc1NC(c1ccc(C(C)(C)C)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The InChIKey is VZFQTIRSFGQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2/c1-16-6-5-15-28-22(16)29-21(17-7-11-19(12-8-17)23(2,3)4)18-9-13-20(14-10-18)24(25,26)27/h5-15,21H,1-4H3,(H,28,29).
What are the key properties of N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 71661925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).