2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol

C13H18ClNO2 — CID 117392843

IUPAC2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
SMILESCOc1c(Cl)cc2c(c1C(N)CO)CCCC2
InChIInChI=1S/C13H18ClNO2/c1-17-13-10(14)6-8-4-2-3-5-9(8)12(13)11(15)7-16/h6,11,16H,2-5,7,15H2,1H3
InChIKeyAGXCAVIQGOEOGA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol

2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 117392843) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
PubChem CID117392843
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
SMILESCOc1c(Cl)cc2c(c1C(N)CO)CCCC2
InChIInChI=1S/C13H18ClNO2/c1-17-13-10(14)6-8-4-2-3-5-9(8)12(13)11(15)7-16/h6,11,16H,2-5,7,15H2,1H3
InChIKeyAGXCAVIQGOEOGA-UHFFFAOYSA-N
XLogP2.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol (CID 117392843) is 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol is COc1c(Cl)cc2c(c1C(N)CO)CCCC2.
What is the InChIKey of 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is AGXCAVIQGOEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-13-10(14)6-8-4-2-3-5-9(8)12(13)11(15)7-16/h6,11,16H,2-5,7,15H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol?
2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 255.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 117392843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).