2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol

C21H26N4O — CID 170894894

IUPAC2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol
SMILESCc1c(C(N)CN)c2ccccc2n1CC(O)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c1-14-21(17(23)12-22)16-7-3-5-9-19(16)25(14)13-20(26)24-11-10-15-6-2-4-8-18(15)24/h2-9,17,20,26H,10-13,22-23H2,1H3
InChIKeyQIFLQPFYODDLRS-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol

2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol (PubChem CID 170894894) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol.

Molecular Properties

Compound Name2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol
PubChem CID170894894
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol
SMILESCc1c(C(N)CN)c2ccccc2n1CC(O)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c1-14-21(17(23)12-22)16-7-3-5-9-19(16)25(14)13-20(26)24-11-10-15-6-2-4-8-18(15)24/h2-9,17,20,26H,10-13,22-23H2,1H3
InChIKeyQIFLQPFYODDLRS-UHFFFAOYSA-N
XLogP2.29
TPSA80.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol
CID 170894895
2-(2,3-dihydroindol-1-yl)-3-methoxypropan-1-amine
CID 103225380
2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 170893839
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
2-(2,3-dihydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 18070332
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylindole-3-carbaldehyde
CID 783760
3-amino-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propanoic acid
CID 116983857

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol?
The IUPAC name of 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol (CID 170894894) is 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol.
What is the SMILES notation for 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol?
The canonical SMILES for 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol is Cc1c(C(N)CN)c2ccccc2n1CC(O)N1CCc2ccccc21.
What is the InChIKey of 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol?
The InChIKey is QIFLQPFYODDLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-21(17(23)12-22)16-7-3-5-9-19(16)25(14)13-20(26)24-11-10-15-6-2-4-8-18(15)24/h2-9,17,20,26H,10-13,22-23H2,1H3.
What are the key properties of 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol?
2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol has a molecular weight of 350.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol is sourced from PubChem (CID 170894894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).