(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole

C16H24BrN — CID 58946601

IUPAC(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole
SMILESCCCCN1c2cc(CBr)ccc2C(C)(C)[C@H]1C
InChIInChI=1S/C16H24BrN/c1-5-6-9-18-12(2)16(3,4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyQAOMCIULKJRYEC-GFCCVEGCSA-N
MW310.28 g/mol
LogP4.87
Rot. Bonds4

About (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole

(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole (PubChem CID 58946601) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole.

Molecular Properties

Compound Name(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole
PubChem CID58946601
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole
SMILESCCCCN1c2cc(CBr)ccc2C(C)(C)[C@H]1C
InChIInChI=1S/C16H24BrN/c1-5-6-9-18-12(2)16(3,4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyQAOMCIULKJRYEC-GFCCVEGCSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.87
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

1,3,3-Trimethyl-2-methyleneindoline
CID 8351
1,2-Dimethylindoline
CID 583485
1,2,3,3-Tetramethylindoline
CID 594839
1-Ethyl-3,3-dimethyl-2-methylidene-2,3-dihydro-1H-indole
CID 12524872
1,3-dimethyl-2,3-dihydro-1H-indole
CID 13011531
1-Butylindoline
CID 4167209
Benzenamine, 4-[2-(2,3-dihydro-1,3,3-trimethyl-1H-indol-2-yl)ethenyl]-N,N-dimethyl-
CID 103888
1-Ethyl-4-methyl-2,3-dihydro-1H-indole
CID 13080895
3-(1-ethylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropan-1-amine
CID 172438024
1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-
CID 589682
1,3,3-Trimethyl-2-methylidene-2,3-dihydro-1H-indol-5-amine
CID 10932203
2,3-Dihydro-3,3-dimethyl-1-phenyl-1H-indole
CID 11075021

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole?
The IUPAC name of (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole (CID 58946601) is (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole.
What is the SMILES notation for (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole?
The canonical SMILES for (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole is CCCCN1c2cc(CBr)ccc2C(C)(C)[C@H]1C.
What is the InChIKey of (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole?
The InChIKey is QAOMCIULKJRYEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24BrN/c1-5-6-9-18-12(2)16(3,4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole?
(2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole has a molecular weight of 310.28 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(bromomethyl)-1-butyl-2,3,3-trimethyl-2H-indole is sourced from PubChem (CID 58946601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).