3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine

C18H21N3O — CID 57369683

IUPAC3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15/h2-6,8-11,19H,7,12-14H2,1H3
InChIKeyGHSWAWCBZHYVJJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.07
Rot. Bonds7

About 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine

3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine (PubChem CID 57369683) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine
PubChem CID57369683
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15/h2-6,8-11,19H,7,12-14H2,1H3
InChIKeyGHSWAWCBZHYVJJ-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
Bendazac
CID 2313
L-Lysine, 2-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)acetate (1:1)
CID 13041095
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, sodium salt (1:1)
CID 23662369
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
1-Benzyl-3-benzyloxy-5-nitro-indazole
CID 386338
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine (CID 57369683) is 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine is CNCCCOc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine?
The InChIKey is GHSWAWCBZHYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15/h2-6,8-11,19H,7,12-14H2,1H3.
What are the key properties of 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine?
3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindazol-3-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 57369683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).