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

C15H20BrNO2 — CID 107386609

IUPAC5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3cc(Br)ccc32)O1
InChIInChI=1S/C15H20BrNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3
InChIKeyOPFXLXBSAYWVNC-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.18
Rot. Bonds3

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

5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107386609) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID107386609
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3cc(Br)ccc32)O1
InChIInChI=1S/C15H20BrNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3
InChIKeyOPFXLXBSAYWVNC-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107386305
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387
5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 171524885
1-[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 171525068
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-(thiolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 80584181
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 63420279
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 107389302
5-bromo-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]benzonitrile
CID 107389663
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 107386609) is 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1(C)OCC(CNC2CCc3cc(Br)ccc32)O1.
What is the InChIKey of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OPFXLXBSAYWVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 326.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107386609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).