2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride

C19H23ClN2O — CID 10670

IUPAC2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H
InChIKeyHEVSQLIUCMHBPN-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.93
Rot. Bonds5

About 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride

2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride (PubChem CID 10670) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride
PubChem CID10670
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H
InChIKeyHEVSQLIUCMHBPN-UHFFFAOYSA-N
XLogP3.93
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride (CID 10670) is 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride is COc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1.Cl.
What is the InChIKey of 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride?
The InChIKey is HEVSQLIUCMHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H.
What are the key properties of 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride?
2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 10670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).