5-bromo-2-ethyl-3,7-dimethyl-1H-indole

C12H14BrN — CID 84707640

IUPAC5-bromo-2-ethyl-3,7-dimethyl-1H-indole
SMILESCCc1[nH]c2c(C)cc(Br)cc2c1C
InChIInChI=1S/C12H14BrN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3
InChIKeyLXEVIIDMDIGRJT-UHFFFAOYSA-N
MW252.15 g/mol
LogP4.11
Rot. Bonds1

About 5-bromo-2-ethyl-3,7-dimethyl-1H-indole

5-bromo-2-ethyl-3,7-dimethyl-1H-indole (PubChem CID 84707640) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromo-2-ethyl-3,7-dimethyl-1H-indole.

Molecular Properties

Compound Name5-bromo-2-ethyl-3,7-dimethyl-1H-indole
PubChem CID84707640
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name5-bromo-2-ethyl-3,7-dimethyl-1H-indole
SMILESCCc1[nH]c2c(C)cc(Br)cc2c1C
InChIInChI=1S/C12H14BrN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3
InChIKeyLXEVIIDMDIGRJT-UHFFFAOYSA-N
XLogP4.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
2-ethyl-3,7-dimethyl-1H-indol-5-amine
CID 84661612
ethyl 5-bromo-3,7-dimethyl-1H-indole-2-carboxylate
CID 12858866
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
6-bromo-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589018
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 113420784
5-bromo-7-methyl-1,2-dihydroindazol-3-one
CID 83397847
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 131847437
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
6-bromo-8-methyl-2,3,4,9-tetrahydrocarbazol-1-one
CID 104508949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-3,7-dimethyl-1H-indole?
The IUPAC name of 5-bromo-2-ethyl-3,7-dimethyl-1H-indole (CID 84707640) is 5-bromo-2-ethyl-3,7-dimethyl-1H-indole.
What is the SMILES notation for 5-bromo-2-ethyl-3,7-dimethyl-1H-indole?
The canonical SMILES for 5-bromo-2-ethyl-3,7-dimethyl-1H-indole is CCc1[nH]c2c(C)cc(Br)cc2c1C.
What is the InChIKey of 5-bromo-2-ethyl-3,7-dimethyl-1H-indole?
The InChIKey is LXEVIIDMDIGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3.
What are the key properties of 5-bromo-2-ethyl-3,7-dimethyl-1H-indole?
5-bromo-2-ethyl-3,7-dimethyl-1H-indole has a molecular weight of 252.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-3,7-dimethyl-1H-indole is sourced from PubChem (CID 84707640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).