N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride

C20H26ClN3 — CID 12819472

IUPACN,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCn1nc(-c2ccccc2)c2cc(C)ccc21.Cl
InChIInChI=1S/C20H25N3.ClH/c1-4-22(5-2)13-14-23-19-12-11-16(3)15-18(19)20(21-23)17-9-7-6-8-10-17;/h6-12,15H,4-5,13-14H2,1-3H3;1H
InChIKeyGDECYLGFCLBKEA-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.78
Rot. Bonds6

About N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride

N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride (PubChem CID 12819472) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride
PubChem CID12819472
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC NameN,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCn1nc(-c2ccccc2)c2cc(C)ccc21.Cl
InChIInChI=1S/C20H25N3.ClH/c1-4-22(5-2)13-14-23-19-12-11-16(3)15-18(19)20(21-23)17-9-7-6-8-10-17;/h6-12,15H,4-5,13-14H2,1-3H3;1H
InChIKeyGDECYLGFCLBKEA-UHFFFAOYSA-N
XLogP4.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride (CID 12819472) is N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride is CCN(CC)CCn1nc(-c2ccccc2)c2cc(C)ccc21.Cl.
What is the InChIKey of N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride?
The InChIKey is GDECYLGFCLBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.ClH/c1-4-22(5-2)13-14-23-19-12-11-16(3)15-18(19)20(21-23)17-9-7-6-8-10-17;/h6-12,15H,4-5,13-14H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride?
N,N-diethyl-2-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 4.78, 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-(5-methyl-3-phenylindazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 12819472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).