2-amino-1-(2,5-dichlorophenyl)ethanol

C8H9Cl2NO — CID 18628108

IUPAC2-amino-1-(2,5-dichlorophenyl)ethanol
SMILESNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyIFGUGEQXOREVDI-UHFFFAOYSA-N
MW206.07 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-1-(2,5-dichlorophenyl)ethanol

2-amino-1-(2,5-dichlorophenyl)ethanol (PubChem CID 18628108) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-amino-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,5-dichlorophenyl)ethanol
PubChem CID18628108
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-amino-1-(2,5-dichlorophenyl)ethanol
SMILESNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyIFGUGEQXOREVDI-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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Related Compounds

2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
CID 70495317
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-amino-1-(2,5-dichlorophenyl)ethanol (CID 18628108) is 2-amino-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(2,5-dichlorophenyl)ethanol is NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-amino-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is IFGUGEQXOREVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-1-(2,5-dichlorophenyl)ethanol?
2-amino-1-(2,5-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-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 18628108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).