4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole

C14H20N2O — CID 115074411

IUPAC4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
SMILESCCN1CC(C)(Oc2cccc3c2CCN3)C1
InChIInChI=1S/C14H20N2O/c1-3-16-9-14(2,10-16)17-13-6-4-5-12-11(13)7-8-15-12/h4-6,15H,3,7-10H2,1-2H3
InChIKeyPCMRJWZSRXYKGE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds3

About 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole

4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074411) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
PubChem CID115074411
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
SMILESCCN1CC(C)(Oc2cccc3c2CCN3)C1
InChIInChI=1S/C14H20N2O/c1-3-16-9-14(2,10-16)17-13-6-4-5-12-11(13)7-8-15-12/h4-6,15H,3,7-10H2,1-2H3
InChIKeyPCMRJWZSRXYKGE-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
CID 115075054
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
CID 115074393
4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074421
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074410
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole (CID 115074411) is 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole is CCN1CC(C)(Oc2cccc3c2CCN3)C1.
What is the InChIKey of 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The InChIKey is PCMRJWZSRXYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16-9-14(2,10-16)17-13-6-4-5-12-11(13)7-8-15-12/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole has a molecular weight of 232.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).