1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine

C18H22INO — CID 115533968

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccccc1OCC
InChIInChI=1S/C18H22INO/c1-3-20-17(13-14-9-11-15(19)12-10-14)16-7-5-6-8-18(16)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyUGMLAFOKCNLXNH-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.58
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine

1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine (PubChem CID 115533968) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
PubChem CID115533968
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccccc1OCC
InChIInChI=1S/C18H22INO/c1-3-20-17(13-14-9-11-15(19)12-10-14)16-7-5-6-8-18(16)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyUGMLAFOKCNLXNH-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
[1-(2-ethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198197
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127281
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine (CID 115533968) is 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine is CCNC(Cc1ccc(I)cc1)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The InChIKey is UGMLAFOKCNLXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-3-20-17(13-14-9-11-15(19)12-10-14)16-7-5-6-8-18(16)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine has a molecular weight of 395.28 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115533968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).