2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol

C18H27N3O2 — CID 83984473

IUPAC2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
SMILESCCOCCN1Cc2cc3c(C(N)CO)c(C)n(C)c3cc2C1
InChIInChI=1S/C18H27N3O2/c1-4-23-6-5-21-9-13-7-15-17(8-14(13)10-21)20(3)12(2)18(15)16(19)11-22/h7-8,16,22H,4-6,9-11,19H2,1-3H3
InChIKeyNACBWBDILBPNIF-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol

2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol (PubChem CID 83984473) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
PubChem CID83984473
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
SMILESCCOCCN1Cc2cc3c(C(N)CO)c(C)n(C)c3cc2C1
InChIInChI=1S/C18H27N3O2/c1-4-23-6-5-21-9-13-7-15-17(8-14(13)10-21)20(3)12(2)18(15)16(19)11-22/h7-8,16,22H,4-6,9-11,19H2,1-3H3
InChIKeyNACBWBDILBPNIF-UHFFFAOYSA-N
XLogP1.83
TPSA63.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol with MolForge

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Related Compounds

2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
CID 83984420
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
CID 112540994
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
CID 112540852
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83984360
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
CID 112540975
methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
CID 83984356

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol (CID 83984473) is 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol is CCOCCN1Cc2cc3c(C(N)CO)c(C)n(C)c3cc2C1.
What is the InChIKey of 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol?
The InChIKey is NACBWBDILBPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-23-6-5-21-9-13-7-15-17(8-14(13)10-21)20(3)12(2)18(15)16(19)11-22/h7-8,16,22H,4-6,9-11,19H2,1-3H3.
What are the key properties of 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol?
2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol has a molecular weight of 317.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol is sourced from PubChem (CID 83984473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).