1-benzyl-2,2,3-trimethyl-3H-indole

C18H21N — CID 175564059

IUPAC1-benzyl-2,2,3-trimethyl-3H-indole
SMILESCC1c2ccccc2N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)19(18(14,2)3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyZBYBHCQIRQTCGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.59
Rot. Bonds2

About 1-benzyl-2,2,3-trimethyl-3H-indole

1-benzyl-2,2,3-trimethyl-3H-indole (PubChem CID 175564059) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-benzyl-2,2,3-trimethyl-3H-indole.

Molecular Properties

Compound Name1-benzyl-2,2,3-trimethyl-3H-indole
PubChem CID175564059
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-benzyl-2,2,3-trimethyl-3H-indole
SMILESCC1c2ccccc2N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)19(18(14,2)3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyZBYBHCQIRQTCGQ-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2,3-tetramethyl-3H-indole;hydroiodide
CID 174550644
2-(1-benzyl-2-hydroxy-2-methyl-3H-indol-3-yl)acetic acid
CID 69023268
3-benzyl-2-iodo-2-methyl-1,3-benzothiazole
CID 175409275
1-benzyl-2,2-dimethyl-3H-quinolin-4-one
CID 139227185
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
2,2,4-trimethyl-1-(2-phenylmethoxyethyl)-3,4-dihydroquinoline
CID 21407626
1-benzyl-3,3-dichloro-4-(chloromethyl)-5,5-dimethylpyrrolidin-2-one
CID 10041714
[(2S)-1-benzyl-3,3-dimethylaziridin-2-yl]-phenylmethanone
CID 101178309
(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidenehydrazine
CID 168530631
1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169386217
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,3-trimethyl-3H-indole?
The IUPAC name of 1-benzyl-2,2,3-trimethyl-3H-indole (CID 175564059) is 1-benzyl-2,2,3-trimethyl-3H-indole.
What is the SMILES notation for 1-benzyl-2,2,3-trimethyl-3H-indole?
The canonical SMILES for 1-benzyl-2,2,3-trimethyl-3H-indole is CC1c2ccccc2N(Cc2ccccc2)C1(C)C.
What is the InChIKey of 1-benzyl-2,2,3-trimethyl-3H-indole?
The InChIKey is ZBYBHCQIRQTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-16-11-7-8-12-17(16)19(18(14,2)3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3.
What are the key properties of 1-benzyl-2,2,3-trimethyl-3H-indole?
1-benzyl-2,2,3-trimethyl-3H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,3-trimethyl-3H-indole is sourced from PubChem (CID 175564059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).