1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine

C18H22N2 — CID 115107303

IUPAC1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
SMILESCNC(C)C1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-14(19-2)18-12-16-10-6-7-11-17(16)20(18)13-15-8-4-3-5-9-15/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyBDKFKUJTDINLMP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine

1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine (PubChem CID 115107303) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
PubChem CID115107303
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
SMILESCNC(C)C1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-14(19-2)18-12-16-10-6-7-11-17(16)20(18)13-15-8-4-3-5-9-15/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyBDKFKUJTDINLMP-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
CID 22629636
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 171430341
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
CID 115107298
2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine (CID 115107303) is 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine is CNC(C)C1Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The InChIKey is BDKFKUJTDINLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(19-2)18-12-16-10-6-7-11-17(16)20(18)13-15-8-4-3-5-9-15/h3-11,14,18-19H,12-13H2,1-2H3.
What are the key properties of 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 115107303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).