N-ethyl-1,2-bis(4-iodophenyl)ethanamine

C16H17I2N — CID 115864070

IUPACN-ethyl-1,2-bis(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C16H17I2N/c1-2-19-16(13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,16,19H,2,11H2,1H3
InChIKeyPCIKWULNMPJAGR-UHFFFAOYSA-N
MW477.13 g/mol
LogP4.79
Rot. Bonds5

About N-ethyl-1,2-bis(4-iodophenyl)ethanamine

N-ethyl-1,2-bis(4-iodophenyl)ethanamine (PubChem CID 115864070) has the molecular formula C16H17I2N and a molecular weight of 477.13 g/mol. Its IUPAC name is N-ethyl-1,2-bis(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1,2-bis(4-iodophenyl)ethanamine
PubChem CID115864070
Molecular FormulaC16H17I2N
Molecular Weight477.13 g/mol
Exact Mass476.95
IUPAC NameN-ethyl-1,2-bis(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C16H17I2N/c1-2-19-16(13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,16,19H,2,11H2,1H3
InChIKeyPCIKWULNMPJAGR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.13
LogP ≤ 54.79
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

N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-bis(4-iodophenyl)ethanamine?
The IUPAC name of N-ethyl-1,2-bis(4-iodophenyl)ethanamine (CID 115864070) is N-ethyl-1,2-bis(4-iodophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1,2-bis(4-iodophenyl)ethanamine?
The canonical SMILES for N-ethyl-1,2-bis(4-iodophenyl)ethanamine is CCNC(Cc1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of N-ethyl-1,2-bis(4-iodophenyl)ethanamine?
The InChIKey is PCIKWULNMPJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17I2N/c1-2-19-16(13-5-9-15(18)10-6-13)11-12-3-7-14(17)8-4-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of N-ethyl-1,2-bis(4-iodophenyl)ethanamine?
N-ethyl-1,2-bis(4-iodophenyl)ethanamine has a molecular weight of 477.13 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-bis(4-iodophenyl)ethanamine is sourced from PubChem (CID 115864070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).