2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol

C13H20N2O — CID 82256939

IUPAC2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol
SMILESCC1Cc2cc(CCNCCO)ccc2N1
InChIInChI=1S/C13H20N2O/c1-10-8-12-9-11(2-3-13(12)15-10)4-5-14-6-7-16/h2-3,9-10,14-16H,4-8H2,1H3
InChIKeyMGAZRSSMXNESMQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds5

About 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol

2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol (PubChem CID 82256939) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol
PubChem CID82256939
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol
SMILESCC1Cc2cc(CCNCCO)ccc2N1
InChIInChI=1S/C13H20N2O/c1-10-8-12-9-11(2-3-13(12)15-10)4-5-14-6-7-16/h2-3,9-10,14-16H,4-8H2,1H3
InChIKeyMGAZRSSMXNESMQ-UHFFFAOYSA-N
XLogP1.17
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
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',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine
CID 82256995
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanamine
CID 82255831
3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide
CID 70812345
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol (CID 82256939) is 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol is CC1Cc2cc(CCNCCO)ccc2N1.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol?
The InChIKey is MGAZRSSMXNESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-12-9-11(2-3-13(12)15-10)4-5-14-6-7-16/h2-3,9-10,14-16H,4-8H2,1H3.
What are the key properties of 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol?
2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 82256939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).