2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine

C12H18N2O — CID 59263142

IUPAC2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)CNC2
InChIInChI=1S/C12H18N2O/c1-14(2)5-6-15-12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyLNJOROCVKPGULO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine

2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine (PubChem CID 59263142) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
PubChem CID59263142
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)CNC2
InChIInChI=1S/C12H18N2O/c1-14(2)5-6-15-12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyLNJOROCVKPGULO-UHFFFAOYSA-N
XLogP1.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
CID 175827613
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
4-[2-(2,3-dihydro-1H-isoindol-5-yloxy)ethyl]morpholine
CID 66657088
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 121006527

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine (CID 59263142) is 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(c1)CNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine?
The InChIKey is LNJOROCVKPGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)5-6-15-12-4-3-10-8-13-9-11(10)7-12/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine?
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 59263142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).