[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine

C20H15F12N3 — CID 87158536

IUPAC[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)(F)F
InChIInChI=1S/C20H15F12N3/c21-17(22,23)12-5-11(6-13(7-12)18(24,25)26)16(20(30,31)32)3-4-35(9-16)14-2-1-10(8-33)15(34-14)19(27,28)29/h1-2,5-7H,3-4,8-9,33H2
InChIKeySPTJRMGEFWMKGG-UHFFFAOYSA-N
MW525.34 g/mol
LogP6.31
Rot. Bonds3

About [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine

[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 87158536) has the molecular formula C20H15F12N3 and a molecular weight of 525.34 g/mol. Its IUPAC name is [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID87158536
Molecular FormulaC20H15F12N3
Molecular Weight525.34 g/mol
Exact Mass525.11
IUPAC Name[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)(F)F
InChIInChI=1S/C20H15F12N3/c21-17(22,23)12-5-11(6-13(7-12)18(24,25)26)16(20(30,31)32)3-4-35(9-16)14-2-1-10(8-33)15(34-14)19(27,28)29/h1-2,5-7H,3-4,8-9,33H2
InChIKeySPTJRMGEFWMKGG-UHFFFAOYSA-N
XLogP6.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.34
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine 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 [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 87158536) is [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)(F)F.
What is the InChIKey of [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is SPTJRMGEFWMKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F12N3/c21-17(22,23)12-5-11(6-13(7-12)18(24,25)26)16(20(30,31)32)3-4-35(9-16)14-2-1-10(8-33)15(34-14)19(27,28)29/h1-2,5-7H,3-4,8-9,33H2.
What are the key properties of [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 525.34 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 87158536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).