1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole

C15H20BrN — CID 65009516

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CC1(CBr)CCC1
InChIInChI=1S/C15H20BrN/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyUASOWFRDZUVEQA-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.00
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole

1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole (PubChem CID 65009516) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole
PubChem CID65009516
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CC1(CBr)CCC1
InChIInChI=1S/C15H20BrN/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyUASOWFRDZUVEQA-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methyl-2,3-dihydroindol-1-yl)methyl]cyclopropan-1-amine
CID 65458877
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
CID 83074635
1-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]piperidin-3-ol
CID 71689234
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
CID 66473506
1-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 113447993
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272119
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole (CID 65009516) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is UASOWFRDZUVEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole?
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 294.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 65009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).