2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride

C25H24BrCl3N2 — CID 122187879

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride
SMILESCc1[nH]c2ccc(Br)cc2c1CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C25H23BrCl2N2.ClH/c1-17-23(24-14-20(26)6-11-25(24)29-17)12-13-30(15-18-2-7-21(27)8-3-18)16-19-4-9-22(28)10-5-19;/h2-11,14,29H,12-13,15-16H2,1H3;1H
InChIKeyMJSWELANCCLJLF-UHFFFAOYSA-N
MW538.74 g/mol
LogP8.21
Rot. Bonds7

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride

2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride (PubChem CID 122187879) has the molecular formula C25H24BrCl3N2 and a molecular weight of 538.74 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride
PubChem CID122187879
Molecular FormulaC25H24BrCl3N2
Molecular Weight538.74 g/mol
Exact Mass536.02
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride
SMILESCc1[nH]c2ccc(Br)cc2c1CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C25H23BrCl2N2.ClH/c1-17-23(24-14-20(26)6-11-25(24)29-17)12-13-30(15-18-2-7-21(27)8-3-18)16-19-4-9-22(28)10-5-19;/h2-11,14,29H,12-13,15-16H2,1H3;1H
InChIKeyMJSWELANCCLJLF-UHFFFAOYSA-N
XLogP8.21
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride (CID 122187879) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride is Cc1[nH]c2ccc(Br)cc2c1CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride?
The InChIKey is MJSWELANCCLJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrCl2N2.ClH/c1-17-23(24-14-20(26)6-11-25(24)29-17)12-13-30(15-18-2-7-21(27)8-3-18)16-19-4-9-22(28)10-5-19;/h2-11,14,29H,12-13,15-16H2,1H3;1H.
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride has a molecular weight of 538.74 g/mol, XLogP of 8.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-chlorophenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 122187879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).