2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol

C15H22N2O — CID 12575442

IUPAC2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
SMILESCCN(CCO)CCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-17(10-11-18)9-8-13-12(2)16-15-7-5-4-6-14(13)15/h4-7,16,18H,3,8-11H2,1-2H3
InChIKeyKZLAQMKQFGNQDO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.33
Rot. Bonds6

About 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol

2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol (PubChem CID 12575442) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
PubChem CID12575442
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
SMILESCCN(CCO)CCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-17(10-11-18)9-8-13-12(2)16-15-7-5-4-6-14(13)15/h4-7,16,18H,3,8-11H2,1-2H3
InChIKeyKZLAQMKQFGNQDO-UHFFFAOYSA-N
XLogP2.33
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 138540718
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
3-[3-fluoro-4-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxypropanamide
CID 126500489
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol (CID 12575442) is 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol is CCN(CCO)CCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol?
The InChIKey is KZLAQMKQFGNQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(10-11-18)9-8-13-12(2)16-15-7-5-4-6-14(13)15/h4-7,16,18H,3,8-11H2,1-2H3.
What are the key properties of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol?
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol is sourced from PubChem (CID 12575442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).