[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol

C20H24N2O2 — CID 168731366

IUPAC[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
SMILESCN(CCc1c[nH]c2ccc(CO)cc12)Cc1ccccc1CO
InChIInChI=1S/C20H24N2O2/c1-22(12-17-4-2-3-5-18(17)14-24)9-8-16-11-21-20-7-6-15(13-23)10-19(16)20/h2-7,10-11,21,23-24H,8-9,12-14H2,1H3
InChIKeyQWGSCZXFTLXFHR-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.83
Rot. Bonds7

About [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol

[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol (PubChem CID 168731366) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
PubChem CID168731366
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
SMILESCN(CCc1c[nH]c2ccc(CO)cc12)Cc1ccccc1CO
InChIInChI=1S/C20H24N2O2/c1-22(12-17-4-2-3-5-18(17)14-24)9-8-16-11-21-20-7-6-15(13-23)10-19(16)20/h2-7,10-11,21,23-24H,8-9,12-14H2,1H3
InChIKeyQWGSCZXFTLXFHR-UHFFFAOYSA-N
XLogP2.83
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
CID 143452594
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol?
The IUPAC name of [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol (CID 168731366) is [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol.
What is the SMILES notation for [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol?
The canonical SMILES for [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol is CN(CCc1c[nH]c2ccc(CO)cc12)Cc1ccccc1CO.
What is the InChIKey of [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol?
The InChIKey is QWGSCZXFTLXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22(12-17-4-2-3-5-18(17)14-24)9-8-16-11-21-20-7-6-15(13-23)10-19(16)20/h2-7,10-11,21,23-24H,8-9,12-14H2,1H3.
What are the key properties of [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol?
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol has a molecular weight of 324.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol is sourced from PubChem (CID 168731366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).