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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Related Compounds

N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
N,N-dimethyl-2-(3-phenylindazol-1-yl)ethanamine;hydrochloride
CID 12819464
1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
CID 10404674
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419
1-butyl-3-phenyl-5-(trifluoromethyl)indazole
CID 69431115
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
3,9-dimethyl-6-phenylcarbazole
CID 59499447
2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 7672173
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
CID 58544932

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).