1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol

C14H20N2O2 — CID 160532929

IUPAC1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol
SMILESCc1[nH]c2cc(OCCNC(C)O)ccc2c1C
InChIInChI=1S/C14H20N2O2/c1-9-10(2)16-14-8-12(4-5-13(9)14)18-7-6-15-11(3)17/h4-5,8,11,15-17H,6-7H2,1-3H3
InChIKeyQVUBEYPODSGFKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol

1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol (PubChem CID 160532929) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol
PubChem CID160532929
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol
SMILESCc1[nH]c2cc(OCCNC(C)O)ccc2c1C
InChIInChI=1S/C14H20N2O2/c1-9-10(2)16-14-8-12(4-5-13(9)14)18-7-6-15-11(3)17/h4-5,8,11,15-17H,6-7H2,1-3H3
InChIKeyQVUBEYPODSGFKT-UHFFFAOYSA-N
XLogP2.09
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[2-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 22141438
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid
CID 22141437
6-cyclopropyloxy-2,3-dimethyl-1H-indole
CID 156561443
N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
CID 10291800
N-[2-chloro-5-[(1R)-2-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
CID 69348614
N-[3-[2-[2-[(2-tert-butyl-3-methyl-1H-indol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 22141413
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30503002
N-[3-[(1R)-1-hydroxy-2-[2-[[2-(2-methoxyethyl)-3-methyl-1H-indol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10115583
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-(2-fluorophenyl)ethanol
CID 70187861
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
N-[3-[(1R)-2-[2-[[3-(2-aminoethyl)-2-methyl-1H-indol-6-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 10204024

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol?
The IUPAC name of 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol (CID 160532929) is 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol.
What is the SMILES notation for 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol?
The canonical SMILES for 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol is Cc1[nH]c2cc(OCCNC(C)O)ccc2c1C.
What is the InChIKey of 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol?
The InChIKey is QVUBEYPODSGFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-10(2)16-14-8-12(4-5-13(9)14)18-7-6-15-11(3)17/h4-5,8,11,15-17H,6-7H2,1-3H3.
What are the key properties of 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol?
1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol has a molecular weight of 248.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol is sourced from PubChem (CID 160532929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).