5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole

C15H22BrNO — CID 143796008

IUPAC5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole
SMILESCCC(C)CCN1CCc2cc(Br)c(OC)cc21
InChIInChI=1S/C15H22BrNO/c1-4-11(2)5-7-17-8-6-12-9-13(16)15(18-3)10-14(12)17/h9-11H,4-8H2,1-3H3
InChIKeyRBDWYMLOAGRUCG-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.26
Rot. Bonds5

About 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole

5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole (PubChem CID 143796008) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole
PubChem CID143796008
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole
SMILESCCC(C)CCN1CCc2cc(Br)c(OC)cc21
InChIInChI=1S/C15H22BrNO/c1-4-11(2)5-7-17-8-6-12-9-13(16)15(18-3)10-14(12)17/h9-11H,4-8H2,1-3H3
InChIKeyRBDWYMLOAGRUCG-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
CID 91457483
5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
CID 67861334
1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209891
(5S)-7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 66905761
7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 10335666
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-3-methylpentan-1-one
CID 114874017
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
1-(2-isocyanoethyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline
CID 2759427
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
methyl 3,7-dibromo-1-ethyl-8-methoxy-2-oxo-4,5-dihydro-1-benzazepine-3-carboxylate
CID 10296646
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole?
The IUPAC name of 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole (CID 143796008) is 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole?
The canonical SMILES for 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole is CCC(C)CCN1CCc2cc(Br)c(OC)cc21.
What is the InChIKey of 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole?
The InChIKey is RBDWYMLOAGRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-11(2)5-7-17-8-6-12-9-13(16)15(18-3)10-14(12)17/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole?
5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole has a molecular weight of 312.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole is sourced from PubChem (CID 143796008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).