4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole

C14H19NO2 — CID 115074354

IUPAC4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OCC3CCCCO3)c1)CCN2
InChIInChI=1S/C14H19NO2/c1-2-9-16-11(4-1)10-17-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyAWOMZFGFJKGQSJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.60
Rot. Bonds3

About 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole

4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole (PubChem CID 115074354) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
PubChem CID115074354
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OCC3CCCCO3)c1)CCN2
InChIInChI=1S/C14H19NO2/c1-2-9-16-11(4-1)10-17-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyAWOMZFGFJKGQSJ-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637
5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 103044970
5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075088
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole (CID 115074354) is 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole is c1cc2c(c(OCC3CCCCO3)c1)CCN2.
What is the InChIKey of 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole?
The InChIKey is AWOMZFGFJKGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-9-16-11(4-1)10-17-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2.
What are the key properties of 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole?
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole has a molecular weight of 233.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).