2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol

C12H17ClN2O — CID 83868727

IUPAC2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol
SMILESCc1c(Cl)ccc2c1N(C)C(C(N)CO)C2
InChIInChI=1S/C12H17ClN2O/c1-7-9(13)4-3-8-5-11(10(14)6-16)15(2)12(7)8/h3-4,10-11,16H,5-6,14H2,1-2H3
InChIKeyYENWEMBHOHZQGD-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.33
Rot. Bonds2

About 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol

2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol (PubChem CID 83868727) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol
PubChem CID83868727
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol
SMILESCc1c(Cl)ccc2c1N(C)C(C(N)CO)C2
InChIInChI=1S/C12H17ClN2O/c1-7-9(13)4-3-8-5-11(10(14)6-16)15(2)12(7)8/h3-4,10-11,16H,5-6,14H2,1-2H3
InChIKeyYENWEMBHOHZQGD-UHFFFAOYSA-N
XLogP1.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol (CID 83868727) is 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol is Cc1c(Cl)ccc2c1N(C)C(C(N)CO)C2.
What is the InChIKey of 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol?
The InChIKey is YENWEMBHOHZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-7-9(13)4-3-8-5-11(10(14)6-16)15(2)12(7)8/h3-4,10-11,16H,5-6,14H2,1-2H3.
What are the key properties of 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol?
2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol has a molecular weight of 240.73 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-1,7-dimethyl-2,3-dihydroindol-2-yl)ethanol is sourced from PubChem (CID 83868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).