N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine

C18H25N3O2 — CID 170723206

IUPACN-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c[nH]c2cccc(ON3CC4C[C@@H](C3)O4)c12
InChIInChI=1S/C18H25N3O2/c1-3-20(2)8-7-13-10-19-16-5-4-6-17(18(13)16)23-21-11-14-9-15(12-21)22-14/h4-6,10,14-15,19H,3,7-9,11-12H2,1-2H3/t14-,15?/m0/s1
InChIKeyBRXIXNDQRZUBSG-MLCCFXAWSA-N
MW315.42 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine

N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine (PubChem CID 170723206) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine
PubChem CID170723206
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c[nH]c2cccc(ON3CC4C[C@@H](C3)O4)c12
InChIInChI=1S/C18H25N3O2/c1-3-20(2)8-7-13-10-19-16-5-4-6-17(18(13)16)23-21-11-14-9-15(12-21)22-14/h4-6,10,14-15,19H,3,7-9,11-12H2,1-2H3/t14-,15?/m0/s1
InChIKeyBRXIXNDQRZUBSG-MLCCFXAWSA-N
XLogP2.43
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine with MolForge

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Related Compounds

3-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]oxy]-3-oxopropanoic acid
CID 169222515
[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] hexanoate
CID 177196026
3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 171726295
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
2-(hydroxymethyl)-6-[[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 170690559
2-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]ethyl hydrogen carbonate
CID 175425600
(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 170387160
2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 178014980
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
CID 167476958
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine (CID 170723206) is N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine is CCN(C)CCc1c[nH]c2cccc(ON3CC4C[C@@H](C3)O4)c12.
What is the InChIKey of N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine?
The InChIKey is BRXIXNDQRZUBSG-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-20(2)8-7-13-10-19-16-5-4-6-17(18(13)16)23-21-11-14-9-15(12-21)22-14/h4-6,10,14-15,19H,3,7-9,11-12H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine?
N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine has a molecular weight of 315.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 170723206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).