N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine

C17H19N3 — CID 21494183

IUPACN,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine
SMILESCC(N(C)C)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-13(19(2)3)20-16-12-8-7-11-15(16)17(18-20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyYMUNCLJXSNDBQK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.78
Rot. Bonds3

About N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine

N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine (PubChem CID 21494183) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine
PubChem CID21494183
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine
SMILESCC(N(C)C)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-13(19(2)3)20-16-12-8-7-11-15(16)17(18-20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyYMUNCLJXSNDBQK-UHFFFAOYSA-N
XLogP3.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-phenylindazole
CID 59633775
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one
CID 20977323
1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 21494258
1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid
CID 70631512
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylindazol-1-yl)propanamide
CID 20877626
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473
1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
CID 92667288
1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
CID 143732835
methyl-methylidene-oxo-[(3-phenylindazol-1-yl)methyl]-λ6-sulfane
CID 159111073

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine (CID 21494183) is N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine is CC(N(C)C)n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine?
The InChIKey is YMUNCLJXSNDBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(19(2)3)20-16-12-8-7-11-15(16)17(18-20)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine?
N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine is sourced from PubChem (CID 21494183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).