2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine

C12H17FN2O — CID 175827613

IUPAC2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)c2c(c1)CNC2
InChIInChI=1S/C12H17FN2O/c1-15(2)3-4-16-10-5-9-7-14-8-11(9)12(13)6-10/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyMKPSUFMRHKBLJD-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds4

About 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine

2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine (PubChem CID 175827613) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
PubChem CID175827613
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)c2c(c1)CNC2
InChIInChI=1S/C12H17FN2O/c1-15(2)3-4-16-10-5-9-7-14-8-11(9)12(13)6-10/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyMKPSUFMRHKBLJD-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 166485937
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine
CID 71104249
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
2-[3-(1,4-diazepan-1-yl)-5-fluorophenoxy]-N,N-dimethylethanamine
CID 122182203
5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
CID 89324930
5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 121006527
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine (CID 175827613) is 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)c2c(c1)CNC2.
What is the InChIKey of 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is MKPSUFMRHKBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(2)3-4-16-10-5-9-7-14-8-11(9)12(13)6-10/h5-6,14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine?
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 175827613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).