[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine

C22H21N3O — CID 166625737

IUPAC[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CN)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H21N3O/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)24-25-22(20)18-7-3-5-15(11-18)14-23/h3-13H,2,14,23H2,1H3,(H,24,25)
InChIKeyRVPAAZLCEMMJSO-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.75
Rot. Bonds5

About [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine

[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine (PubChem CID 166625737) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
PubChem CID166625737
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(CN)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H21N3O/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)24-25-22(20)18-7-3-5-15(11-18)14-23/h3-13H,2,14,23H2,1H3,(H,24,25)
InChIKeyRVPAAZLCEMMJSO-UHFFFAOYSA-N
XLogP4.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine?
The IUPAC name of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine (CID 166625737) is [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine?
The canonical SMILES for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine is CCOc1cccc(-c2ccc3c(-c4cccc(CN)c4)n[nH]c3c2)c1.
What is the InChIKey of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine?
The InChIKey is RVPAAZLCEMMJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-26-19-8-4-6-16(12-19)17-9-10-20-21(13-17)24-25-22(20)18-7-3-5-15(11-18)14-23/h3-13H,2,14,23H2,1H3,(H,24,25).
What are the key properties of [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine?
[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine has a molecular weight of 343.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 166625737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).