2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine

C12H15BrN2 — CID 82501777

IUPAC2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C)[nH]c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-8-9(6-7-14-2)10-4-3-5-11(13)12(10)15-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyIETSJBROKWGMLZ-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.00
Rot. Bonds3

About 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine

2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 82501777) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
PubChem CID82501777
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C)[nH]c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-8-9(6-7-14-2)10-4-3-5-11(13)12(10)15-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyIETSJBROKWGMLZ-UHFFFAOYSA-N
XLogP3.00
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192
3-[4-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-N-methylbenzamide
CID 59173236
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile
CID 66738757
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 82502316
3-bromo-2-[3-(methylamino)propyl]phenol
CID 84737240
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine (CID 82501777) is 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine is CNCCc1c(C)[nH]c2c(Br)cccc12.
What is the InChIKey of 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is IETSJBROKWGMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8-9(6-7-14-2)10-4-3-5-11(13)12(10)15-8/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine?
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 82501777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).