2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

C16H17Cl2NO2 — CID 62606810

IUPAC2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8,14H,9,19H2,1-2H3
InChIKeyCEPSIJDGESZYSQ-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.25
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 62606810) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
PubChem CID62606810
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8,14H,9,19H2,1-2H3
InChIKeyCEPSIJDGESZYSQ-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)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

2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (CID 62606810) is 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is CEPSIJDGESZYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-20-15-7-6-10(8-16(15)21-2)14(19)9-11-12(17)4-3-5-13(11)18/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 326.22 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 62606810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).