5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole

C14H18N2O — CID 19970245

IUPAC5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCN3C)c2c1
InChIInChI=1S/C14H18N2O/c1-16-6-5-11(16)7-10-9-15-14-4-3-12(17-2)8-13(10)14/h3-4,8-9,11,15H,5-7H2,1-2H3
InChIKeyIQHCTYQGDMINGI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds3

About 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole

5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole (PubChem CID 19970245) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
PubChem CID19970245
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCN3C)c2c1
InChIInChI=1S/C14H18N2O/c1-16-6-5-11(16)7-10-9-15-14-4-3-12(17-2)8-13(10)14/h3-4,8-9,11,15H,5-7H2,1-2H3
InChIKeyIQHCTYQGDMINGI-UHFFFAOYSA-N
XLogP2.42
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole (CID 19970245) is 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole is COc1ccc2[nH]cc(CC3CCN3C)c2c1.
What is the InChIKey of 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole?
The InChIKey is IQHCTYQGDMINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-6-5-11(16)7-10-9-15-14-4-3-12(17-2)8-13(10)14/h3-4,8-9,11,15H,5-7H2,1-2H3.
What are the key properties of 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole?
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole has a molecular weight of 230.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 19970245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).