1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine

C21H16F6N2 — CID 73352464

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine
SMILESFC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H16F6N2/c22-20(23,24)17-8-14(9-18(10-17)21(25,26)27)11-29-13-16-12-28-7-6-19(16)15-4-2-1-3-5-15/h1-10,12,29H,11,13H2
InChIKeyRDZWUOGMLNAQDK-UHFFFAOYSA-N
MW410.36 g/mol
LogP6.08
Rot. Bonds5

About 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine

1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine (PubChem CID 73352464) has the molecular formula C21H16F6N2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine
PubChem CID73352464
Molecular FormulaC21H16F6N2
Molecular Weight410.36 g/mol
Exact Mass410.12
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine
SMILESFC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H16F6N2/c22-20(23,24)17-8-14(9-18(10-17)21(25,26)27)11-29-13-16-12-28-7-6-19(16)15-4-2-1-3-5-15/h1-10,12,29H,11,13H2
InChIKeyRDZWUOGMLNAQDK-UHFFFAOYSA-N
XLogP6.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine (CID 73352464) is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine is FC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine?
The InChIKey is RDZWUOGMLNAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2/c22-20(23,24)17-8-14(9-18(10-17)21(25,26)27)11-29-13-16-12-28-7-6-19(16)15-4-2-1-3-5-15/h1-10,12,29H,11,13H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine?
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine has a molecular weight of 410.36 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 73352464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).