1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine

C17H19Cl2N — CID 63416853

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-20-16(11-13-8-5-4-7-12(13)2)14-9-6-10-15(18)17(14)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyMZXNYKAHIXWRFQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.20
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine

1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 63416853) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID63416853
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-20-16(11-13-8-5-4-7-12(13)2)14-9-6-10-15(18)17(14)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyMZXNYKAHIXWRFQ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 63416853) is 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is MZXNYKAHIXWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-20-16(11-13-8-5-4-7-12(13)2)14-9-6-10-15(18)17(14)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63416853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).