N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine

C17H19N3 — CID 62141700

IUPACN-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-n1ncc2ccccc21
InChIInChI=1S/C17H19N3/c1-13(2)18-11-14-7-3-5-9-16(14)20-17-10-6-4-8-15(17)12-19-20/h3-10,12-13,18H,11H2,1-2H3
InChIKeyCYHUHIYQFMGGPJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.52
Rot. Bonds4

About N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine

N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine (PubChem CID 62141700) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
PubChem CID62141700
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-n1ncc2ccccc21
InChIInChI=1S/C17H19N3/c1-13(2)18-11-14-7-3-5-9-16(14)20-17-10-6-4-8-15(17)12-19-20/h3-10,12-13,18H,11H2,1-2H3
InChIKeyCYHUHIYQFMGGPJ-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine (CID 62141700) is N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccccc1-n1ncc2ccccc21.
What is the InChIKey of N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is CYHUHIYQFMGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(2)18-11-14-7-3-5-9-16(14)20-17-10-6-4-8-15(17)12-19-20/h3-10,12-13,18H,11H2,1-2H3.
What are the key properties of N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine?
N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 62141700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).