3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole

C16H22N2O — CID 170277434

IUPAC3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3C(C)CC3C)c2c1
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)18(11)7-6-13-10-17-16-5-4-14(19-3)9-15(13)16/h4-5,9-12,17H,6-8H2,1-3H3
InChIKeyQHNUUOWWVXIXQY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.20
Rot. Bonds4

About 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole

3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole (PubChem CID 170277434) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
PubChem CID170277434
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3C(C)CC3C)c2c1
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)18(11)7-6-13-10-17-16-5-4-14(19-3)9-15(13)16/h4-5,9-12,17H,6-8H2,1-3H3
InChIKeyQHNUUOWWVXIXQY-UHFFFAOYSA-N
XLogP3.20
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole with MolForge

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Related Compounds

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862274
3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862202
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole (CID 170277434) is 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCN3C(C)CC3C)c2c1.
What is the InChIKey of 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole?
The InChIKey is QHNUUOWWVXIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-8-12(2)18(11)7-6-13-10-17-16-5-4-14(19-3)9-15(13)16/h4-5,9-12,17H,6-8H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole?
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole has a molecular weight of 258.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole is sourced from PubChem (CID 170277434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).