[2-(1H-indol-3-yl)ethyl-methylamino]methanol

C12H16N2O — CID 115229481

IUPAC[2-(1H-indol-3-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-14(9-15)7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13,15H,6-7,9H2,1H3
InChIKeyNCWBCTSPURCXCN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.59
Rot. Bonds4

About [2-(1H-indol-3-yl)ethyl-methylamino]methanol

[2-(1H-indol-3-yl)ethyl-methylamino]methanol (PubChem CID 115229481) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)ethyl-methylamino]methanol.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)ethyl-methylamino]methanol
PubChem CID115229481
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[2-(1H-indol-3-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-14(9-15)7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13,15H,6-7,9H2,1H3
InChIKeyNCWBCTSPURCXCN-UHFFFAOYSA-N
XLogP1.59
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[2-(1H-indol-3-yl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115134328
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
CID 156836279
CID 156836279
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)ethyl-methylamino]methanol?
The IUPAC name of [2-(1H-indol-3-yl)ethyl-methylamino]methanol (CID 115229481) is [2-(1H-indol-3-yl)ethyl-methylamino]methanol.
What is the SMILES notation for [2-(1H-indol-3-yl)ethyl-methylamino]methanol?
The canonical SMILES for [2-(1H-indol-3-yl)ethyl-methylamino]methanol is CN(CO)CCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)ethyl-methylamino]methanol?
The InChIKey is NCWBCTSPURCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(9-15)7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13,15H,6-7,9H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)ethyl-methylamino]methanol?
[2-(1H-indol-3-yl)ethyl-methylamino]methanol has a molecular weight of 204.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)ethyl-methylamino]methanol is sourced from PubChem (CID 115229481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).