N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine

C19H23N3 — CID 12819473

IUPACN,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
SMILESCCN(CC)CCn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H23N3/c1-3-21(4-2)14-15-22-18-13-9-8-12-17(18)19(20-22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyBUABYDYEZDMYKZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

About N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine

N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine (PubChem CID 12819473) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
PubChem CID12819473
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
SMILESCCN(CC)CCn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H23N3/c1-3-21(4-2)14-15-22-18-13-9-8-12-17(18)19(20-22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyBUABYDYEZDMYKZ-UHFFFAOYSA-N
XLogP4.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Butyl-indol-1-yl-pyridin-4-yl-amine
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CID 10850308
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
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3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine (CID 12819473) is N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine is CCN(CC)CCn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine?
The InChIKey is BUABYDYEZDMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-21(4-2)14-15-22-18-13-9-8-12-17(18)19(20-22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine?
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine is sourced from PubChem (CID 12819473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).