2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol

C15H15Cl2NO3 — CID 107679206

IUPAC2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
SMILESCOc1cc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)ccc1O
InChIInChI=1S/C15H15Cl2NO3/c1-8(9-3-4-13(19)14(5-9)21-2)18-10-6-11(16)15(20)12(17)7-10/h3-8,18-20H,1-2H3
InChIKeyMELJKOSJEAGWJY-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.59
Rot. Bonds4

About 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol

2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol (PubChem CID 107679206) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
PubChem CID107679206
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
SMILESCOc1cc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)ccc1O
InChIInChI=1S/C15H15Cl2NO3/c1-8(9-3-4-13(19)14(5-9)21-2)18-10-6-11(16)15(20)12(17)7-10/h3-8,18-20H,1-2H3
InChIKeyMELJKOSJEAGWJY-UHFFFAOYSA-N
XLogP4.59
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]phenol
CID 107678944
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol (CID 107679206) is 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol is COc1cc(C(C)Nc2cc(Cl)c(O)c(Cl)c2)ccc1O.
What is the InChIKey of 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol?
The InChIKey is MELJKOSJEAGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-8(9-3-4-13(19)14(5-9)21-2)18-10-6-11(16)15(20)12(17)7-10/h3-8,18-20H,1-2H3.
What are the key properties of 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol?
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol has a molecular weight of 328.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol is sourced from PubChem (CID 107679206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).