N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride

C17H20ClN3 — CID 12819464

IUPACN,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
SMILESCN(C)CCn1nc(-c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N3.ClH/c1-19(2)12-13-20-16-11-7-6-10-15(16)17(18-20)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H
InChIKeyRYKRQBCZUKMNAE-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.69
Rot. Bonds4

About N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride

N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride (PubChem CID 12819464) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
PubChem CID12819464
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
SMILESCN(C)CCn1nc(-c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N3.ClH/c1-19(2)12-13-20-16-11-7-6-10-15(16)17(18-20)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H
InChIKeyRYKRQBCZUKMNAE-UHFFFAOYSA-N
XLogP3.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride (CID 12819464) is N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride is CN(C)CCn1nc(-c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride?
The InChIKey is RYKRQBCZUKMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-19(2)12-13-20-16-11-7-6-10-15(16)17(18-20)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride?
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 12819464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).