1-benzyl-3-methylindole;ethane

C18H21N — CID 145343697

IUPAC1-benzyl-3-methylindole;ethane
SMILESCC.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N.C2H6/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2/h2-11H,12H2,1H3;1-2H3
InChIKeyUHGNKWAIVCTWEU-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.02
Rot. Bonds2

About 1-benzyl-3-methylindole;ethane

1-benzyl-3-methylindole;ethane (PubChem CID 145343697) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-benzyl-3-methylindole;ethane.

Molecular Properties

Compound Name1-benzyl-3-methylindole;ethane
PubChem CID145343697
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-benzyl-3-methylindole;ethane
SMILESCC.Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H15N.C2H6/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2/h2-11H,12H2,1H3;1-2H3
InChIKeyUHGNKWAIVCTWEU-UHFFFAOYSA-N
XLogP5.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
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
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
1-benzyl-6-ethoxy-3-methylindole
CID 15128551
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
1-benzyl-3-phenylselanylindole
CID 101452590
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylindole;ethane?
The IUPAC name of 1-benzyl-3-methylindole;ethane (CID 145343697) is 1-benzyl-3-methylindole;ethane.
What is the SMILES notation for 1-benzyl-3-methylindole;ethane?
The canonical SMILES for 1-benzyl-3-methylindole;ethane is CC.Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-methylindole;ethane?
The InChIKey is UHGNKWAIVCTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C2H6/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;1-2/h2-11H,12H2,1H3;1-2H3.
What are the key properties of 1-benzyl-3-methylindole;ethane?
1-benzyl-3-methylindole;ethane has a molecular weight of 251.37 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylindole;ethane is sourced from PubChem (CID 145343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).