2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol

C12H16N2O2 — CID 53274319

IUPAC2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
SMILESCOc1ccc2[nH]cc(CNCCO)c2c1
InChIInChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(6-10)9(8-14-12)7-13-4-5-15/h2-3,6,8,13-15H,4-5,7H2,1H3
InChIKeyXQPQVLUPJOQHMK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.26
Rot. Bonds5

About 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol

2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol (PubChem CID 53274319) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
PubChem CID53274319
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
SMILESCOc1ccc2[nH]cc(CNCCO)c2c1
InChIInChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(6-10)9(8-14-12)7-13-4-5-15/h2-3,6,8,13-15H,4-5,7H2,1H3
InChIKeyXQPQVLUPJOQHMK-UHFFFAOYSA-N
XLogP1.26
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
CID 42646833
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol (CID 53274319) is 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol is COc1ccc2[nH]cc(CNCCO)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol?
The InChIKey is XQPQVLUPJOQHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(6-10)9(8-14-12)7-13-4-5-15/h2-3,6,8,13-15H,4-5,7H2,1H3.
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol?
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol is sourced from PubChem (CID 53274319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).