1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride

C19H23ClN2O2 — CID 3039282

IUPAC1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride
SMILESCOC1(c2ccccc2)C(=O)N(CCN(C)C)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-20(2)13-14-21-17-12-8-7-11-16(17)19(23-3,18(21)22)15-9-5-4-6-10-15;/h4-12H,13-14H2,1-3H3;1H
InChIKeyWTQPUQJFTOKYGO-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride

1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride (PubChem CID 3039282) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride
PubChem CID3039282
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride
SMILESCOC1(c2ccccc2)C(=O)N(CCN(C)C)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-20(2)13-14-21-17-12-8-7-11-16(17)19(23-3,18(21)22)15-9-5-4-6-10-15;/h4-12H,13-14H2,1-3H3;1H
InChIKeyWTQPUQJFTOKYGO-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride (CID 3039282) is 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride is COC1(c2ccccc2)C(=O)N(CCN(C)C)c2ccccc21.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride?
The InChIKey is WTQPUQJFTOKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-20(2)13-14-21-17-12-8-7-11-16(17)19(23-3,18(21)22)15-9-5-4-6-10-15;/h4-12H,13-14H2,1-3H3;1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride?
1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one;hydrochloride is sourced from PubChem (CID 3039282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).