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

C11H13ClN2O — CID 3124377

IUPAC2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol
SMILESOCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H13ClN2O/c12-11-8-3-1-2-4-9(8)14-10(11)7-13-5-6-15/h1-4,13-15H,5-7H2
InChIKeyBCKGKSKEDQMLFJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.90
Rot. Bonds4

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

2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol (PubChem CID 3124377) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol
PubChem CID3124377
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol
SMILESOCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C11H13ClN2O/c12-11-8-3-1-2-4-9(8)14-10(11)7-13-5-6-15/h1-4,13-15H,5-7H2
InChIKeyBCKGKSKEDQMLFJ-UHFFFAOYSA-N
XLogP1.90
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol (CID 3124377) is 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol is OCCNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol?
The InChIKey is BCKGKSKEDQMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11-8-3-1-2-4-9(8)14-10(11)7-13-5-6-15/h1-4,13-15H,5-7H2.
What are the key properties of 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol?
2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol has a molecular weight of 224.69 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1H-indol-2-yl)methylamino]ethanol is sourced from PubChem (CID 3124377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).