2-(2,5-diamino-4-chlorophenyl)ethanol

C8H11ClN2O — CID 10197983

IUPAC2-(2,5-diamino-4-chlorophenyl)ethanol
SMILESNc1cc(CCO)c(N)cc1Cl
InChIInChI=1S/C8H11ClN2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h3-4,12H,1-2,10-11H2
InChIKeyIRPQBHDXFZCQCZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.04
Rot. Bonds2

About 2-(2,5-diamino-4-chlorophenyl)ethanol

2-(2,5-diamino-4-chlorophenyl)ethanol (PubChem CID 10197983) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(2,5-diamino-4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-diamino-4-chlorophenyl)ethanol
PubChem CID10197983
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(2,5-diamino-4-chlorophenyl)ethanol
SMILESNc1cc(CCO)c(N)cc1Cl
InChIInChI=1S/C8H11ClN2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h3-4,12H,1-2,10-11H2
InChIKeyIRPQBHDXFZCQCZ-UHFFFAOYSA-N
XLogP1.04
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
2-(5-amino-2-chloro-4-pyridinyl)ethanol
CID 88537888
2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
CID 141473932
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
2-(2,5-diaminophenyl)ethanol
CID 160672831
4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
CID 159824858
(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
2-(2-amino-5-ethenylphenyl)ethanol
CID 91295799
2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
CID 130276365
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diamino-4-chlorophenyl)ethanol?
The IUPAC name of 2-(2,5-diamino-4-chlorophenyl)ethanol (CID 10197983) is 2-(2,5-diamino-4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2,5-diamino-4-chlorophenyl)ethanol?
The canonical SMILES for 2-(2,5-diamino-4-chlorophenyl)ethanol is Nc1cc(CCO)c(N)cc1Cl.
What is the InChIKey of 2-(2,5-diamino-4-chlorophenyl)ethanol?
The InChIKey is IRPQBHDXFZCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h3-4,12H,1-2,10-11H2.
What are the key properties of 2-(2,5-diamino-4-chlorophenyl)ethanol?
2-(2,5-diamino-4-chlorophenyl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diamino-4-chlorophenyl)ethanol is sourced from PubChem (CID 10197983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).