2-(1H-indol-4-ylmethylamino)ethanol

C11H14N2O — CID 53269747

IUPAC2-(1H-indol-4-ylmethylamino)ethanol
SMILESOCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c14-7-6-12-8-9-2-1-3-11-10(9)4-5-13-11/h1-5,12-14H,6-8H2
InChIKeyMAFVUFYKSATWAZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.25
Rot. Bonds4

About 2-(1H-indol-4-ylmethylamino)ethanol

2-(1H-indol-4-ylmethylamino)ethanol (PubChem CID 53269747) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1H-indol-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(1H-indol-4-ylmethylamino)ethanol
PubChem CID53269747
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1H-indol-4-ylmethylamino)ethanol
SMILESOCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c14-7-6-12-8-9-2-1-3-11-10(9)4-5-13-11/h1-5,12-14H,6-8H2
InChIKeyMAFVUFYKSATWAZ-UHFFFAOYSA-N
XLogP1.25
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-ylmethylamino)ethanol?
The IUPAC name of 2-(1H-indol-4-ylmethylamino)ethanol (CID 53269747) is 2-(1H-indol-4-ylmethylamino)ethanol.
What is the SMILES notation for 2-(1H-indol-4-ylmethylamino)ethanol?
The canonical SMILES for 2-(1H-indol-4-ylmethylamino)ethanol is OCCNCc1cccc2[nH]ccc12.
What is the InChIKey of 2-(1H-indol-4-ylmethylamino)ethanol?
The InChIKey is MAFVUFYKSATWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-7-6-12-8-9-2-1-3-11-10(9)4-5-13-11/h1-5,12-14H,6-8H2.
What are the key properties of 2-(1H-indol-4-ylmethylamino)ethanol?
2-(1H-indol-4-ylmethylamino)ethanol has a molecular weight of 190.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-ylmethylamino)ethanol is sourced from PubChem (CID 53269747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).