5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H24BrNO2 — CID 171524885

IUPAC5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCC1COC(C)(C)O1)C1CCc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO2/c1-17(2)20-11-14(21-17)8-9-19(3)16-7-4-12-10-13(18)5-6-15(12)16/h5-6,10,14,16H,4,7-9,11H2,1-3H3
InChIKeyQDULQAZNTLQSKE-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 171524885) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID171524885
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCC1COC(C)(C)O1)C1CCc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO2/c1-17(2)20-11-14(21-17)8-9-19(3)16-7-4-12-10-13(18)5-6-15(12)16/h5-6,10,14,16H,4,7-9,11H2,1-3H3
InChIKeyQDULQAZNTLQSKE-UHFFFAOYSA-N
XLogP3.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 171524885) is 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CN(CCC1COC(C)(C)O1)C1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QDULQAZNTLQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-17(2)20-11-14(21-17)8-9-19(3)16-7-4-12-10-13(18)5-6-15(12)16/h5-6,10,14,16H,4,7-9,11H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 354.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 171524885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).