1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

C16H15Cl4N — CID 115863199

IUPAC1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-21-15(12-4-3-5-14(19)16(12)20)9-10-8-11(17)6-7-13(10)18/h3-8,15,21H,2,9H2,1H3
InChIKeySKSREARZCYEFHT-UHFFFAOYSA-N
MW363.12 g/mol
LogP6.19
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 115863199) has the molecular formula C16H15Cl4N and a molecular weight of 363.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
PubChem CID115863199
Molecular FormulaC16H15Cl4N
Molecular Weight363.12 g/mol
Exact Mass361.00
IUPAC Name1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-21-15(12-4-3-5-14(19)16(12)20)9-10-8-11(17)6-7-13(10)18/h3-8,15,21H,2,9H2,1H3
InChIKeySKSREARZCYEFHT-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.12
LogP ≤ 56.19
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
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (CID 115863199) is 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is SKSREARZCYEFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl4N/c1-2-21-15(12-4-3-5-14(19)16(12)20)9-10-8-11(17)6-7-13(10)18/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 363.12 g/mol, XLogP of 6.19, 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)-2-(2,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).