2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine

C17H20N2 — CID 115107304

IUPAC2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
SMILESNCCC1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H20N2/c18-11-10-16-12-15-8-4-5-9-17(15)19(16)13-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2
InChIKeyWPURXCMXLJOGRE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.97
Rot. Bonds4

About 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine

2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine (PubChem CID 115107304) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
PubChem CID115107304
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
SMILESNCCC1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H20N2/c18-11-10-16-12-15-8-4-5-9-17(15)19(16)13-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2
InChIKeyWPURXCMXLJOGRE-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
CID 115107298
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
CID 22629636
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine (CID 115107304) is 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine is NCCC1Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine?
The InChIKey is WPURXCMXLJOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-11-10-16-12-15-8-4-5-9-17(15)19(16)13-14-6-2-1-3-7-14/h1-9,16H,10-13,18H2.
What are the key properties of 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine?
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine is sourced from PubChem (CID 115107304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).