[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol

C18H22N2O — CID 70419794

IUPAC[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol
SMILESCNCC1Cc2c(CO)cccc2N1Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-19-11-16-10-17-15(13-21)8-5-9-18(17)20(16)12-14-6-3-2-4-7-14/h2-9,16,19,21H,10-13H2,1H3
InChIKeyKMUPCFAFBJHMSR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.33
Rot. Bonds5

About [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol

[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol (PubChem CID 70419794) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol
PubChem CID70419794
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol
SMILESCNCC1Cc2c(CO)cccc2N1Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-19-11-16-10-17-15(13-21)8-5-9-18(17)20(16)12-14-6-3-2-4-7-14/h2-9,16,19,21H,10-13H2,1H3
InChIKeyKMUPCFAFBJHMSR-UHFFFAOYSA-N
XLogP2.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol?
The IUPAC name of [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol (CID 70419794) is [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol?
The canonical SMILES for [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol is CNCC1Cc2c(CO)cccc2N1Cc1ccccc1.
What is the InChIKey of [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol?
The InChIKey is KMUPCFAFBJHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-11-16-10-17-15(13-21)8-5-9-18(17)20(16)12-14-6-3-2-4-7-14/h2-9,16,19,21H,10-13H2,1H3.
What are the key properties of [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol?
[1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol has a molecular weight of 282.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-(methylaminomethyl)-2,3-dihydroindol-4-yl]methanol is sourced from PubChem (CID 70419794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).