2-amino-2-(3,5-dichlorophenyl)ethanol

C8H9Cl2NO — CID 2734585

IUPAC2-amino-2-(3,5-dichlorophenyl)ethanol
SMILESNC(CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKeyLRORZXIRKBZZAG-UHFFFAOYSA-N
MW206.07 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-2-(3,5-dichlorophenyl)ethanol

2-amino-2-(3,5-dichlorophenyl)ethanol (PubChem CID 2734585) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-amino-2-(3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,5-dichlorophenyl)ethanol
PubChem CID2734585
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-amino-2-(3,5-dichlorophenyl)ethanol
SMILESNC(CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKeyLRORZXIRKBZZAG-UHFFFAOYSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dichlorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3,5-dichlorophenyl)ethanol (CID 2734585) is 2-amino-2-(3,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,5-dichlorophenyl)ethanol is NC(CO)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-2-(3,5-dichlorophenyl)ethanol?
The InChIKey is LRORZXIRKBZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(3,5-dichlorophenyl)ethanol?
2-amino-2-(3,5-dichlorophenyl)ethanol has a molecular weight of 206.07 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 2734585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).