4-(2-aminoethylamino)-2,6-dichlorophenol

C8H10Cl2N2O — CID 130589167

IUPAC4-(2-aminoethylamino)-2,6-dichlorophenol
SMILESNCCNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O/c9-6-3-5(12-2-1-11)4-7(10)8(6)13/h3-4,12-13H,1-2,11H2
InChIKeyRRNOXZUCRMQGTJ-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.07
Rot. Bonds3

About 4-(2-aminoethylamino)-2,6-dichlorophenol

4-(2-aminoethylamino)-2,6-dichlorophenol (PubChem CID 130589167) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-2,6-dichlorophenol.

Molecular Properties

Compound Name4-(2-aminoethylamino)-2,6-dichlorophenol
PubChem CID130589167
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name4-(2-aminoethylamino)-2,6-dichlorophenol
SMILESNCCNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O/c9-6-3-5(12-2-1-11)4-7(10)8(6)13/h3-4,12-13H,1-2,11H2
InChIKeyRRNOXZUCRMQGTJ-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-(ethylamino)phenol
CID 82550826
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
2,6-dichloro-4-(3-phenylbutylamino)phenol
CID 107679289
4-(2-aminoethylamino)phenol
CID 15538569
4-[(3,5-dichloro-4-hydroxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107679307
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
2,6-dichloro-4-(cycloheptylmethylamino)phenol
CID 107678839
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-[2-(3-chloro-4-fluorophenyl)hydrazinyl]ethanamine
CID 174466054
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-2,6-dichlorophenol?
The IUPAC name of 4-(2-aminoethylamino)-2,6-dichlorophenol (CID 130589167) is 4-(2-aminoethylamino)-2,6-dichlorophenol.
What is the SMILES notation for 4-(2-aminoethylamino)-2,6-dichlorophenol?
The canonical SMILES for 4-(2-aminoethylamino)-2,6-dichlorophenol is NCCNc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethylamino)-2,6-dichlorophenol?
The InChIKey is RRNOXZUCRMQGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c9-6-3-5(12-2-1-11)4-7(10)8(6)13/h3-4,12-13H,1-2,11H2.
What are the key properties of 4-(2-aminoethylamino)-2,6-dichlorophenol?
4-(2-aminoethylamino)-2,6-dichlorophenol has a molecular weight of 221.09 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-2,6-dichlorophenol is sourced from PubChem (CID 130589167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).