3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine

C20H15F6N3 — CID 155562376

IUPAC3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNCc1cccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2N)c1
InChIInChI=1S/C20H15F6N3/c21-19(22,23)15-5-13(6-16(8-15)20(24,25)26)14-7-17(18(28)29-10-14)12-3-1-2-11(4-12)9-27/h1-8,10H,9,27H2,(H2,28,29)
InChIKeyBPALGYRZLAQYML-UHFFFAOYSA-N
MW411.35 g/mol
LogP5.49
Rot. Bonds3

About 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine

3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 155562376) has the molecular formula C20H15F6N3 and a molecular weight of 411.35 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID155562376
Molecular FormulaC20H15F6N3
Molecular Weight411.35 g/mol
Exact Mass411.12
IUPAC Name3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNCc1cccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2N)c1
InChIInChI=1S/C20H15F6N3/c21-19(22,23)15-5-13(6-16(8-15)20(24,25)26)14-7-17(18(28)29-10-14)12-3-1-2-11(4-12)9-27/h1-8,10H,9,27H2,(H2,28,29)
InChIKeyBPALGYRZLAQYML-UHFFFAOYSA-N
XLogP5.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine (CID 155562376) is 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine is NCc1cccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2N)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is BPALGYRZLAQYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3/c21-19(22,23)15-5-13(6-16(8-15)20(24,25)26)14-7-17(18(28)29-10-14)12-3-1-2-11(4-12)9-27/h1-8,10H,9,27H2,(H2,28,29).
What are the key properties of 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine?
3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 411.35 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-5-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 155562376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).