2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol

C11H13ClN2O — CID 22021579

IUPAC2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol
SMILESCn1ccc2cc(C(O)CN)cc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-14-3-2-7-4-8(10(15)6-13)5-9(12)11(7)14/h2-5,10,15H,6,13H2,1H3
InChIKeyOPZIXNWOMSXTPM-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.82
Rot. Bonds2

About 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol

2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol (PubChem CID 22021579) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol
PubChem CID22021579
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol
SMILESCn1ccc2cc(C(O)CN)cc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-14-3-2-7-4-8(10(15)6-13)5-9(12)11(7)14/h2-5,10,15H,6,13H2,1H3
InChIKeyOPZIXNWOMSXTPM-UHFFFAOYSA-N
XLogP1.82
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol (CID 22021579) is 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol is Cn1ccc2cc(C(O)CN)cc(Cl)c21.
What is the InChIKey of 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol?
The InChIKey is OPZIXNWOMSXTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14-3-2-7-4-8(10(15)6-13)5-9(12)11(7)14/h2-5,10,15H,6,13H2,1H3.
What are the key properties of 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol?
2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol has a molecular weight of 224.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol is sourced from PubChem (CID 22021579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).