2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline

C15H13Cl3IN — CID 63445541

IUPAC2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
SMILESCCC(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3IN/c1-2-14(11-5-3-9(16)7-12(11)17)20-15-6-4-10(19)8-13(15)18/h3-8,14,20H,2H2,1H3
InChIKeyKAPPFNJITIPTQF-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.81
Rot. Bonds4

About 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline

2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline (PubChem CID 63445541) has the molecular formula C15H13Cl3IN and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
PubChem CID63445541
Molecular FormulaC15H13Cl3IN
Molecular Weight440.54 g/mol
Exact Mass438.92
IUPAC Name2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
SMILESCCC(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3IN/c1-2-14(11-5-3-9(16)7-12(11)17)20-15-6-4-10(19)8-13(15)18/h3-8,14,20H,2H2,1H3
InChIKeyKAPPFNJITIPTQF-UHFFFAOYSA-N
XLogP6.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.81
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

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline (CID 63445541) is 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline is CCC(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline?
The InChIKey is KAPPFNJITIPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3IN/c1-2-14(11-5-3-9(16)7-12(11)17)20-15-6-4-10(19)8-13(15)18/h3-8,14,20H,2H2,1H3.
What are the key properties of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline?
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline has a molecular weight of 440.54 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline is sourced from PubChem (CID 63445541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).