1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol

C12H18N2O — CID 130414548

IUPAC1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol
SMILESCC(O)N1CC(C)(C)c2ccc(N)cc21
InChIInChI=1S/C12H18N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6,8,15H,7,13H2,1-3H3
InChIKeyTXWVVHRNPXSAFK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.70
Rot. Bonds1

About 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol

1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol (PubChem CID 130414548) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol.

Molecular Properties

Compound Name1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol
PubChem CID130414548
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol
SMILESCC(O)N1CC(C)(C)c2ccc(N)cc21
InChIInChI=1S/C12H18N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6,8,15H,7,13H2,1-3H3
InChIKeyTXWVVHRNPXSAFK-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine
CID 66688854
2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
CID 115096246
1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 22483533
5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
CID 153378822
8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide
CID 173083856
1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
CID 101027452
2-propan-2-yl-3H-indazole-1,6-diamine
CID 69254026
1-N,1-N,3,3-tetramethyl-1,2-dihydroindene-1,6-diamine
CID 91211575
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
CID 102196246
1-(8-amino-5,5-dimethyl-3,4-dihydro-2H-1-benzazepin-1-yl)-2-pyrrolidin-1-ylethanone
CID 67264291
2,2,4,4-tetramethyl-3H-thiochromen-7-amine
CID 18983575
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol?
The IUPAC name of 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol (CID 130414548) is 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol.
What is the SMILES notation for 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol?
The canonical SMILES for 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol is CC(O)N1CC(C)(C)c2ccc(N)cc21.
What is the InChIKey of 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol?
The InChIKey is TXWVVHRNPXSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6,8,15H,7,13H2,1-3H3.
What are the key properties of 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol?
1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol is sourced from PubChem (CID 130414548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).