1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole

C17H16BrNO — CID 116622881

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
SMILESCOc1ccc(Br)c(Cn2ccc3cc(C)ccc32)c1
InChIInChI=1S/C17H16BrNO/c1-12-3-6-17-13(9-12)7-8-19(17)11-14-10-15(20-2)4-5-16(14)18/h3-10H,11H2,1-2H3
InChIKeyQNRYPIJWYZMCFM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.77
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole

1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole (PubChem CID 116622881) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
PubChem CID116622881
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
SMILESCOc1ccc(Br)c(Cn2ccc3cc(C)ccc32)c1
InChIInChI=1S/C17H16BrNO/c1-12-3-6-17-13(9-12)7-8-19(17)11-14-10-15(20-2)4-5-16(14)18/h3-10H,11H2,1-2H3
InChIKeyQNRYPIJWYZMCFM-UHFFFAOYSA-N
XLogP4.77
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dichloroindole
CID 103428250
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
CID 82792935
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
1-(methoxymethyl)-5-methylindole
CID 110831319
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
1-(2-methoxyethyl)-5-methylindole
CID 116622979

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole (CID 116622881) is 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole is COc1ccc(Br)c(Cn2ccc3cc(C)ccc32)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole?
The InChIKey is QNRYPIJWYZMCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-3-6-17-13(9-12)7-8-19(17)11-14-10-15(20-2)4-5-16(14)18/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole?
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole has a molecular weight of 330.23 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole is sourced from PubChem (CID 116622881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).