2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine

C20H23BrN2O — CID 68568799

IUPAC2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1cccc2c(CCN(C)C)cn(Cc3ccccc3Br)c12
InChIInChI=1S/C20H23BrN2O/c1-22(2)12-11-15-13-23(14-16-7-4-5-9-18(16)21)20-17(15)8-6-10-19(20)24-3/h4-10,13H,11-12,14H2,1-3H3
InChIKeyYCWIAKUELNEOGS-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.56
Rot. Bonds6

About 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine

2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine (PubChem CID 68568799) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine
PubChem CID68568799
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1cccc2c(CCN(C)C)cn(Cc3ccccc3Br)c12
InChIInChI=1S/C20H23BrN2O/c1-22(2)12-11-15-13-23(14-16-7-4-5-9-18(16)21)20-17(15)8-6-10-19(20)24-3/h4-10,13H,11-12,14H2,1-3H3
InChIKeyYCWIAKUELNEOGS-UHFFFAOYSA-N
XLogP4.56
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine (CID 68568799) is 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine is COc1cccc2c(CCN(C)C)cn(Cc3ccccc3Br)c12.
What is the InChIKey of 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is YCWIAKUELNEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-22(2)12-11-15-13-23(14-16-7-4-5-9-18(16)21)20-17(15)8-6-10-19(20)24-3/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine?
2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 387.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 68568799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).