1-(4-bromobutyl)-2-methyl-2,3-dihydroindole

C13H18BrN — CID 61286704

IUPAC1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CCCCBr
InChIInChI=1S/C13H18BrN/c1-11-10-12-6-2-3-7-13(12)15(11)9-5-4-8-14/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyRHBWSMVSNRCXOQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole

1-(4-bromobutyl)-2-methyl-2,3-dihydroindole (PubChem CID 61286704) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
PubChem CID61286704
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CCCCBr
InChIInChI=1S/C13H18BrN/c1-11-10-12-6-2-3-7-13(12)15(11)9-5-4-8-14/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyRHBWSMVSNRCXOQ-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole 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-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
CID 66473506
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one
CID 43259609
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole (CID 61286704) is 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1CCCCBr.
What is the InChIKey of 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole?
The InChIKey is RHBWSMVSNRCXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-11-10-12-6-2-3-7-13(12)15(11)9-5-4-8-14/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole?
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole has a molecular weight of 268.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 61286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).