N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine

C17H19N3O2 — CID 784380

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
InChIInChI=1S/C17H19N3O2/c1-3-22-17-8-12(4-7-16(17)21-2)10-18-14-6-5-13-11-19-20-15(13)9-14/h4-9,11,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyIWYBBIVRTFTKFX-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.58
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine (PubChem CID 784380) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine
PubChem CID784380
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
InChIInChI=1S/C17H19N3O2/c1-3-22-17-8-12(4-7-16(17)21-2)10-18-14-6-5-13-11-19-20-15(13)9-14/h4-9,11,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyIWYBBIVRTFTKFX-UHFFFAOYSA-N
XLogP3.58
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine (CID 784380) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine is CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is IWYBBIVRTFTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-17-8-12(4-7-16(17)21-2)10-18-14-6-5-13-11-19-20-15(13)9-14/h4-9,11,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 297.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 784380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).