4,5-dichloro-2-(ethylaminomethyl)phenol

C9H11Cl2NO — CID 82553918

IUPAC4,5-dichloro-2-(ethylaminomethyl)phenol
SMILESCCNCc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C9H11Cl2NO/c1-2-12-5-6-3-7(10)8(11)4-9(6)13/h3-4,12-13H,2,5H2,1H3
InChIKeyQUZDKODERYZCJZ-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.81
Rot. Bonds3

About 4,5-dichloro-2-(ethylaminomethyl)phenol

4,5-dichloro-2-(ethylaminomethyl)phenol (PubChem CID 82553918) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 4,5-dichloro-2-(ethylaminomethyl)phenol.

Molecular Properties

Compound Name4,5-dichloro-2-(ethylaminomethyl)phenol
PubChem CID82553918
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name4,5-dichloro-2-(ethylaminomethyl)phenol
SMILESCCNCc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C9H11Cl2NO/c1-2-12-5-6-3-7(10)8(11)4-9(6)13/h3-4,12-13H,2,5H2,1H3
InChIKeyQUZDKODERYZCJZ-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4,5-dichloro-2-(ethylaminomethyl)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-(ethylaminomethyl)phenol
CID 12995218
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
4-(ethylaminomethyl)-6-nitrobenzene-1,3-diol
CID 112719991
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
N-[(2-chloro-5-iodophenyl)methyl]ethanamine
CID 69098832
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
4-chloro-2-ethyl-5-propylphenol
CID 118092079
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(ethylaminomethyl)phenol?
The IUPAC name of 4,5-dichloro-2-(ethylaminomethyl)phenol (CID 82553918) is 4,5-dichloro-2-(ethylaminomethyl)phenol.
What is the SMILES notation for 4,5-dichloro-2-(ethylaminomethyl)phenol?
The canonical SMILES for 4,5-dichloro-2-(ethylaminomethyl)phenol is CCNCc1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 4,5-dichloro-2-(ethylaminomethyl)phenol?
The InChIKey is QUZDKODERYZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-2-12-5-6-3-7(10)8(11)4-9(6)13/h3-4,12-13H,2,5H2,1H3.
What are the key properties of 4,5-dichloro-2-(ethylaminomethyl)phenol?
4,5-dichloro-2-(ethylaminomethyl)phenol has a molecular weight of 220.10 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(ethylaminomethyl)phenol is sourced from PubChem (CID 82553918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).