2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol

C12H18N2O — CID 112713468

IUPAC2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol
SMILESCC1=CC2C=C(C(O)CN)C=CC2N1C
InChIInChI=1S/C12H18N2O/c1-8-5-10-6-9(12(15)7-13)3-4-11(10)14(8)2/h3-6,10-12,15H,7,13H2,1-2H3
InChIKeyGGVURNYMHRESLK-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.64
Rot. Bonds2

About 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol

2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol (PubChem CID 112713468) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol
PubChem CID112713468
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol
SMILESCC1=CC2C=C(C(O)CN)C=CC2N1C
InChIInChI=1S/C12H18N2O/c1-8-5-10-6-9(12(15)7-13)3-4-11(10)14(8)2/h3-6,10-12,15H,7,13H2,1-2H3
InChIKeyGGVURNYMHRESLK-UHFFFAOYSA-N
XLogP0.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol (CID 112713468) is 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol is CC1=CC2C=C(C(O)CN)C=CC2N1C.
What is the InChIKey of 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol?
The InChIKey is GGVURNYMHRESLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-10-6-9(12(15)7-13)3-4-11(10)14(8)2/h3-6,10-12,15H,7,13H2,1-2H3.
What are the key properties of 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol?
2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2-dimethyl-3a,7a-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 112713468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).