1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine

C14H12Cl2IN — CID 103214534

IUPAC1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12Cl2IN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14H,7,18H2
InChIKeyJYBUOKJKJNVWNZ-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.84
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine

1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine (PubChem CID 103214534) has the molecular formula C14H12Cl2IN and a molecular weight of 392.07 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
PubChem CID103214534
Molecular FormulaC14H12Cl2IN
Molecular Weight392.07 g/mol
Exact Mass390.94
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12Cl2IN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14H,7,18H2
InChIKeyJYBUOKJKJNVWNZ-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.84
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

1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103214557
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine (CID 103214534) is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is JYBUOKJKJNVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2IN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14H,7,18H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine?
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 392.07 g/mol, XLogP of 4.84, 3 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-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 103214534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).