2-(4-chloro-2-iodophenyl)ethanamine

C8H9ClIN — CID 130050912

IUPAC2-(4-chloro-2-iodophenyl)ethanamine
SMILESNCCc1ccc(Cl)cc1I
InChIInChI=1S/C8H9ClIN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyKIIOSODCFLPIED-UHFFFAOYSA-N
MW281.52 g/mol
LogP2.45
Rot. Bonds2

About 2-(4-chloro-2-iodophenyl)ethanamine

2-(4-chloro-2-iodophenyl)ethanamine (PubChem CID 130050912) has the molecular formula C8H9ClIN and a molecular weight of 281.52 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenyl)ethanamine
PubChem CID130050912
Molecular FormulaC8H9ClIN
Molecular Weight281.52 g/mol
Exact Mass280.95
IUPAC Name2-(4-chloro-2-iodophenyl)ethanamine
SMILESNCCc1ccc(Cl)cc1I
InChIInChI=1S/C8H9ClIN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyKIIOSODCFLPIED-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 52.45
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

4-chloro-1-ethyl-2-iodobenzene
CID 68984613
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
2-(4-chloro-2-propylsulfanylphenyl)ethanamine
CID 114865787
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
4-(aminomethyl)-3-iodoaniline
CID 91883183

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-iodophenyl)ethanamine (CID 130050912) is 2-(4-chloro-2-iodophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-iodophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-iodophenyl)ethanamine is NCCc1ccc(Cl)cc1I.
What is the InChIKey of 2-(4-chloro-2-iodophenyl)ethanamine?
The InChIKey is KIIOSODCFLPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClIN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2.
What are the key properties of 2-(4-chloro-2-iodophenyl)ethanamine?
2-(4-chloro-2-iodophenyl)ethanamine has a molecular weight of 281.52 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenyl)ethanamine is sourced from PubChem (CID 130050912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).