2-(2,6-dichloro-4-methoxyphenyl)ethanamine

C9H11Cl2NO — CID 82616097

IUPAC2-(2,6-dichloro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)c(CCN)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2-3,12H2,1H3
InChIKeyZQKRVPPBJHHQCR-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.50
Rot. Bonds3

About 2-(2,6-dichloro-4-methoxyphenyl)ethanamine

2-(2,6-dichloro-4-methoxyphenyl)ethanamine (PubChem CID 82616097) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichloro-4-methoxyphenyl)ethanamine
PubChem CID82616097
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-(2,6-dichloro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)c(CCN)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2-3,12H2,1H3
InChIKeyZQKRVPPBJHHQCR-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichloro-4-methoxyphenyl)ethanamine 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

3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
(1S,3S)-1,3-bis(2,6-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 131850438
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)ethanamine (CID 82616097) is 2-(2,6-dichloro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichloro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichloro-4-methoxyphenyl)ethanamine is COc1cc(Cl)c(CCN)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-methoxyphenyl)ethanamine?
The InChIKey is ZQKRVPPBJHHQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-13-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(2,6-dichloro-4-methoxyphenyl)ethanamine?
2-(2,6-dichloro-4-methoxyphenyl)ethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82616097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).