1-benzyl-7-methyl-2,3-dihydroindole

C16H17N — CID 11020518

IUPAC1-benzyl-7-methyl-2,3-dihydroindole
SMILESCc1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C16H17N/c1-13-6-5-9-15-10-11-17(16(13)15)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyWUPBJPQTWKBWIN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.56
Rot. Bonds2

About 1-benzyl-7-methyl-2,3-dihydroindole

1-benzyl-7-methyl-2,3-dihydroindole (PubChem CID 11020518) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-benzyl-7-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-7-methyl-2,3-dihydroindole
PubChem CID11020518
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-benzyl-7-methyl-2,3-dihydroindole
SMILESCc1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C16H17N/c1-13-6-5-9-15-10-11-17(16(13)15)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyWUPBJPQTWKBWIN-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
7-methyl-1-(2-methylpropyl)-2,3-dihydroindole
CID 174365784
1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
CID 70867642
2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10500955
3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 83752989
3-(1-benzyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
CID 115107241
1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
CID 24896448
1-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82250019
[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752275
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
2-[2-(7-methyl-2,3-dihydroindol-1-yl)ethoxy]ethanol
CID 111439547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-2,3-dihydroindole?
The IUPAC name of 1-benzyl-7-methyl-2,3-dihydroindole (CID 11020518) is 1-benzyl-7-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-7-methyl-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-7-methyl-2,3-dihydroindole is Cc1cccc2c1N(Cc1ccccc1)CC2.
What is the InChIKey of 1-benzyl-7-methyl-2,3-dihydroindole?
The InChIKey is WUPBJPQTWKBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-13-6-5-9-15-10-11-17(16(13)15)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-benzyl-7-methyl-2,3-dihydroindole?
1-benzyl-7-methyl-2,3-dihydroindole has a molecular weight of 223.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-2,3-dihydroindole is sourced from PubChem (CID 11020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).