3-benzyl-1,5-dimethyl-2,3-dihydroindole

C17H19N — CID 83960221

IUPAC3-benzyl-1,5-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)C(Cc1ccccc1)CN2C
InChIInChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3
InChIKeyIJOGPQATTPQHAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.77
Rot. Bonds2

About 3-benzyl-1,5-dimethyl-2,3-dihydroindole

3-benzyl-1,5-dimethyl-2,3-dihydroindole (PubChem CID 83960221) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-benzyl-1,5-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-benzyl-1,5-dimethyl-2,3-dihydroindole
PubChem CID83960221
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-benzyl-1,5-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)C(Cc1ccccc1)CN2C
InChIInChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3
InChIKeyIJOGPQATTPQHAZ-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
CID 83960227
N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 169244272
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276720
(3R,4S)-3-amino-1,6-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 97028375
2-benzyl-5-methyl-2,3-dihydroindol-1-amine
CID 145489465
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117201853
(10bR)-6-benzyl-2,9-dimethyl-1,3,4,5,5a,10b-hexahydroazepino[4,3-b]indole
CID 58147095
1,3-dibenzyl-3-deuterio-5-methylindol-2-one
CID 10980376
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
1-[(3aR,8bR)-2,7-dimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indol-4-yl]-2-phenylethanone
CID 58159520
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The IUPAC name of 3-benzyl-1,5-dimethyl-2,3-dihydroindole (CID 83960221) is 3-benzyl-1,5-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The canonical SMILES for 3-benzyl-1,5-dimethyl-2,3-dihydroindole is Cc1ccc2c(c1)C(Cc1ccccc1)CN2C.
What is the InChIKey of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The InChIKey is IJOGPQATTPQHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
3-benzyl-1,5-dimethyl-2,3-dihydroindole has a molecular weight of 237.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,5-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 83960221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).