N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine

C22H21N3O2 — CID 11282867

IUPACN-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine
SMILESCOc1ccccc1C(C)Nc1n[nH]c2cccc(Oc3ccccc3)c12
InChIInChI=1S/C22H21N3O2/c1-15(17-11-6-7-13-19(17)26-2)23-22-21-18(24-25-22)12-8-14-20(21)27-16-9-4-3-5-10-16/h3-15H,1-2H3,(H2,23,24,25)
InChIKeyHGEPQNPOGIFCJF-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.54
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine

N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine (PubChem CID 11282867) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine
PubChem CID11282867
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine
SMILESCOc1ccccc1C(C)Nc1n[nH]c2cccc(Oc3ccccc3)c12
InChIInChI=1S/C22H21N3O2/c1-15(17-11-6-7-13-19(17)26-2)23-22-21-18(24-25-22)12-8-14-20(21)27-16-9-4-3-5-10-16/h3-15H,1-2H3,(H2,23,24,25)
InChIKeyHGEPQNPOGIFCJF-UHFFFAOYSA-N
XLogP5.54
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine (CID 11282867) is N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine is COc1ccccc1C(C)Nc1n[nH]c2cccc(Oc3ccccc3)c12.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine?
The InChIKey is HGEPQNPOGIFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(17-11-6-7-13-19(17)26-2)23-22-21-18(24-25-22)12-8-14-20(21)27-16-9-4-3-5-10-16/h3-15H,1-2H3,(H2,23,24,25).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine?
N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine has a molecular weight of 359.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine is sourced from PubChem (CID 11282867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).