4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole

C14H20N2O — CID 115074410

IUPAC4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
SMILESCC(C)N1CC(Oc2cccc3c2CCN3)C1
InChIInChI=1S/C14H20N2O/c1-10(2)16-8-11(9-16)17-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyYTTLIHXHRQHBIH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds3

About 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole

4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074410) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
PubChem CID115074410
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
SMILESCC(C)N1CC(Oc2cccc3c2CCN3)C1
InChIInChI=1S/C14H20N2O/c1-10(2)16-8-11(9-16)17-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyYTTLIHXHRQHBIH-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-(thian-4-yloxy)-2,3-dihydro-1H-indole
CID 115074331
5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076287
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074411
4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
CID 115074393
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole (CID 115074410) is 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole is CC(C)N1CC(Oc2cccc3c2CCN3)C1.
What is the InChIKey of 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
The InChIKey is YTTLIHXHRQHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-8-11(9-16)17-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole?
4-(1-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).