1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine

C14H11ClF2IN — CID 103216088

IUPAC1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11ClF2IN/c15-10-7-9(2-4-13(10)18)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14H,6,19H2
InChIKeySVXKNWJLIJKCJP-UHFFFAOYSA-N
MW393.60 g/mol
LogP4.47
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine

1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine (PubChem CID 103216088) has the molecular formula C14H11ClF2IN and a molecular weight of 393.60 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
PubChem CID103216088
Molecular FormulaC14H11ClF2IN
Molecular Weight393.60 g/mol
Exact Mass392.96
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11ClF2IN/c15-10-7-9(2-4-13(10)18)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14H,6,19H2
InChIKeySVXKNWJLIJKCJP-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.47
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-(4-chlorophenyl)ethanamine
CID 103214534
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine (CID 103216088) is 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine is NC(Cc1ccc(F)c(F)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine?
The InChIKey is SVXKNWJLIJKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2IN/c15-10-7-9(2-4-13(10)18)14(19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14H,6,19H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine?
1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine has a molecular weight of 393.60 g/mol, XLogP of 4.47, 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-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 103216088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).