N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine

C19H24IN — CID 115844176

IUPACN-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1ccc(I)cc1
InChIInChI=1S/C19H24IN/c1-4-21-19(17-9-11-18(20)12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3
InChIKeyKNXTXXVDUIXIJS-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.31
Rot. Bonds6

About N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine

N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844176) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844176
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC NameN-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1ccc(I)cc1
InChIInChI=1S/C19H24IN/c1-4-21-19(17-9-11-18(20)12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3
InChIKeyKNXTXXVDUIXIJS-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844176) is N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine is CCNC(Cc1ccc(C(C)C)cc1)c1ccc(I)cc1.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KNXTXXVDUIXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-4-21-19(17-9-11-18(20)12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 393.31 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).