6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine

C17H16F3N3O2 — CID 122574415

IUPAC6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine
SMILESCOc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c1-23-13-8-10(6-7-12(13)16(21)22-23)11-4-3-5-14(24-2)15(11)25-9-17(18,19)20/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeySDZMJHYSMNKQSA-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.77
Rot. Bonds4

About 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine

6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine (PubChem CID 122574415) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine
PubChem CID122574415
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine
SMILESCOc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c1-23-13-8-10(6-7-12(13)16(21)22-23)11-4-3-5-14(24-2)15(11)25-9-17(18,19)20/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeySDZMJHYSMNKQSA-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine?
The IUPAC name of 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine (CID 122574415) is 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine.
What is the SMILES notation for 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine?
The canonical SMILES for 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine is COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F.
What is the InChIKey of 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine?
The InChIKey is SDZMJHYSMNKQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-23-13-8-10(6-7-12(13)16(21)22-23)11-4-3-5-14(24-2)15(11)25-9-17(18,19)20/h3-8H,9H2,1-2H3,(H2,21,22).
What are the key properties of 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine?
6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine has a molecular weight of 351.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylindazol-3-amine is sourced from PubChem (CID 122574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).