5-benzyl-2,3-dihydro-1H-indole

C15H15N — CID 19042869

IUPAC5-benzyl-2,3-dihydro-1H-indole
SMILESc1ccc(Cc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C15H15N/c1-2-4-12(5-3-1)10-13-6-7-15-14(11-13)8-9-16-15/h1-7,11,16H,8-10H2
InChIKeyCLOSJGHVRBWYNJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.25
Rot. Bonds2

About 5-benzyl-2,3-dihydro-1H-indole

5-benzyl-2,3-dihydro-1H-indole (PubChem CID 19042869) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-benzyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-benzyl-2,3-dihydro-1H-indole
PubChem CID19042869
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name5-benzyl-2,3-dihydro-1H-indole
SMILESc1ccc(Cc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C15H15N/c1-2-4-12(5-3-1)10-13-6-7-15-14(11-13)8-9-16-15/h1-7,11,16H,8-10H2
InChIKeyCLOSJGHVRBWYNJ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[[2-(chloromethyl)phenyl]methyl]-2,3-dihydro-1H-indole
CID 67963438
N-benzyl-2,3-dihydro-1H-indol-5-amine
CID 22497856
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103966
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
CID 61149619
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-ethylethanamine
CID 22898575
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 43563498
7-benzyl-2,4-dihydro-1H-isoquinolin-3-one
CID 139839851
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-benzyl-2,3-dihydro-1H-indole (CID 19042869) is 5-benzyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-benzyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-benzyl-2,3-dihydro-1H-indole is c1ccc(Cc2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 5-benzyl-2,3-dihydro-1H-indole?
The InChIKey is CLOSJGHVRBWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-12(5-3-1)10-13-6-7-15-14(11-13)8-9-16-15/h1-7,11,16H,8-10H2.
What are the key properties of 5-benzyl-2,3-dihydro-1H-indole?
5-benzyl-2,3-dihydro-1H-indole has a molecular weight of 209.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 19042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).