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

C17H25N3O — CID 83984420

IUPAC2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCc1c(C(N)CO)c2cc3c(cc2n1C)CN(C(C)C)C3
InChIInChI=1S/C17H25N3O/c1-10(2)20-7-12-5-14-16(6-13(12)8-20)19(4)11(3)17(14)15(18)9-21/h5-6,10,15,21H,7-9,18H2,1-4H3
InChIKeyVRHXNCMVXWSHLE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.20
Rot. Bonds3

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

2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (PubChem CID 83984420) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
PubChem CID83984420
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCc1c(C(N)CO)c2cc3c(cc2n1C)CN(C(C)C)C3
InChIInChI=1S/C17H25N3O/c1-10(2)20-7-12-5-14-16(6-13(12)8-20)19(4)11(3)17(14)15(18)9-21/h5-6,10,15,21H,7-9,18H2,1-4H3
InChIKeyVRHXNCMVXWSHLE-UHFFFAOYSA-N
XLogP2.20
TPSA54.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (CID 83984420) is 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is Cc1c(C(N)CO)c2cc3c(cc2n1C)CN(C(C)C)C3.
What is the InChIKey of 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The InChIKey is VRHXNCMVXWSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-10(2)20-7-12-5-14-16(6-13(12)8-20)19(4)11(3)17(14)15(18)9-21/h5-6,10,15,21H,7-9,18H2,1-4H3.
What are the key properties of 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol has a molecular weight of 287.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is sourced from PubChem (CID 83984420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).