1-benzyl-3-methylindole;1,3-dioxolane

C19H21NO2 — CID 23496284

IUPAC1-benzyl-3-methylindole;1,3-dioxolane
SMILESC1COCO1.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N.C3H6O2/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-5-3-4-1/h2-11H,12H2,1H3;1-3H2
InChIKeyHLWMOSBEUPFSBJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.99
Rot. Bonds2

About 1-benzyl-3-methylindole;1,3-dioxolane

1-benzyl-3-methylindole;1,3-dioxolane (PubChem CID 23496284) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-3-methylindole;1,3-dioxolane.

Molecular Properties

Compound Name1-benzyl-3-methylindole;1,3-dioxolane
PubChem CID23496284
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-3-methylindole;1,3-dioxolane
SMILESC1COCO1.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N.C3H6O2/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-5-3-4-1/h2-11H,12H2,1H3;1-3H2
InChIKeyHLWMOSBEUPFSBJ-UHFFFAOYSA-N
XLogP3.99
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methylindole;ethane
CID 145343697
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
(3-methylindol-1-yl)methanol
CID 54090827
2-(1-benzylindol-3-yl)ethanol
CID 13134935
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
1-benzyl-6-ethoxy-3-methylindole
CID 15128551
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
CID 106785915
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylindole;1,3-dioxolane?
The IUPAC name of 1-benzyl-3-methylindole;1,3-dioxolane (CID 23496284) is 1-benzyl-3-methylindole;1,3-dioxolane.
What is the SMILES notation for 1-benzyl-3-methylindole;1,3-dioxolane?
The canonical SMILES for 1-benzyl-3-methylindole;1,3-dioxolane is C1COCO1.Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-methylindole;1,3-dioxolane?
The InChIKey is HLWMOSBEUPFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C3H6O2/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2-5-3-4-1/h2-11H,12H2,1H3;1-3H2.
What are the key properties of 1-benzyl-3-methylindole;1,3-dioxolane?
1-benzyl-3-methylindole;1,3-dioxolane has a molecular weight of 295.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylindole;1,3-dioxolane is sourced from PubChem (CID 23496284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).