2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine

C18H27N3O2 — CID 56910476

IUPAC2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCOCCN(C)C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1
InChIInChI=1S/C18H27N3O2/c1-20(8-9-22-3)13-17-6-5-16(23-17)11-14-4-7-18-15(10-14)12-19-21(18)2/h4,7,10,12,16-17H,5-6,8-9,11,13H2,1-3H3/t16-,17+/m0/s1
InChIKeyGESRXVRBFLZQAZ-DLBZAZTESA-N
MW317.43 g/mol
LogP2.24
Rot. Bonds7

About 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine

2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 56910476) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID56910476
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCOCCN(C)C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1
InChIInChI=1S/C18H27N3O2/c1-20(8-9-22-3)13-17-6-5-16(23-17)11-14-4-7-18-15(10-14)12-19-21(18)2/h4,7,10,12,16-17H,5-6,8-9,11,13H2,1-3H3/t16-,17+/m0/s1
InChIKeyGESRXVRBFLZQAZ-DLBZAZTESA-N
XLogP2.24
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 56910476) is 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine is COCCN(C)C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is GESRXVRBFLZQAZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(8-9-22-3)13-17-6-5-16(23-17)11-14-4-7-18-15(10-14)12-19-21(18)2/h4,7,10,12,16-17H,5-6,8-9,11,13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 317.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[(2R,5S)-5-[(1-methylindazol-5-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 56910476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).