1-amino-1-(3,5-dichlorophenyl)ethanol

C8H9Cl2NO — CID 23370682

IUPAC1-amino-1-(3,5-dichlorophenyl)ethanol
SMILESCC(N)(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-8(11,12)5-2-6(9)4-7(10)3-5/h2-4,12H,11H2,1H3
InChIKeyKRDOGAAFAGGUKY-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.12
Rot. Bonds1

About 1-amino-1-(3,5-dichlorophenyl)ethanol

1-amino-1-(3,5-dichlorophenyl)ethanol (PubChem CID 23370682) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 1-amino-1-(3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-amino-1-(3,5-dichlorophenyl)ethanol
PubChem CID23370682
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name1-amino-1-(3,5-dichlorophenyl)ethanol
SMILESCC(N)(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-8(11,12)5-2-6(9)4-7(10)3-5/h2-4,12H,11H2,1H3
InChIKeyKRDOGAAFAGGUKY-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3,5-dichlorophenyl)ethanol?
The IUPAC name of 1-amino-1-(3,5-dichlorophenyl)ethanol (CID 23370682) is 1-amino-1-(3,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-amino-1-(3,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-amino-1-(3,5-dichlorophenyl)ethanol is CC(N)(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-amino-1-(3,5-dichlorophenyl)ethanol?
The InChIKey is KRDOGAAFAGGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-8(11,12)5-2-6(9)4-7(10)3-5/h2-4,12H,11H2,1H3.
What are the key properties of 1-amino-1-(3,5-dichlorophenyl)ethanol?
1-amino-1-(3,5-dichlorophenyl)ethanol has a molecular weight of 206.07 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 23370682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).