1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

C16H15Cl3IN — CID 107312112

IUPAC1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15Cl3IN/c1-2-21-15(10-6-7-14(20)13(18)8-10)9-11-4-3-5-12(17)16(11)19/h3-8,15,21H,2,9H2,1H3
InChIKeyCQUAXWUNPPMACH-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.14
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine

1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 107312112) has the molecular formula C16H15Cl3IN and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID107312112
Molecular FormulaC16H15Cl3IN
Molecular Weight454.57 g/mol
Exact Mass452.93
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15Cl3IN/c1-2-21-15(10-6-7-14(20)13(18)8-10)9-11-4-3-5-12(17)16(11)19/h3-8,15,21H,2,9H2,1H3
InChIKeyCQUAXWUNPPMACH-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 107308460
1-(3-chloro-4-iodophenyl)-2-(2,6-difluorophenyl)-N-ethylethanamine
CID 103216510
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 103216054
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine (CID 107312112) is 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1Cl)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is CQUAXWUNPPMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3IN/c1-2-21-15(10-6-7-14(20)13(18)8-10)9-11-4-3-5-12(17)16(11)19/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine?
1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine has a molecular weight of 454.57 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107312112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).