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

C18H28IN — CID 65479391

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28IN/c1-4-20-17(13-14-5-7-16(19)8-6-14)15-9-11-18(2,3)12-10-15/h5-8,15,17,20H,4,9-13H2,1-3H3
InChIKeyISGYISYRSDORFM-UHFFFAOYSA-N
MW385.33 g/mol
LogP5.03
Rot. Bonds5

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

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine (PubChem CID 65479391) has the molecular formula C18H28IN and a molecular weight of 385.33 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
PubChem CID65479391
Molecular FormulaC18H28IN
Molecular Weight385.33 g/mol
Exact Mass385.13
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28IN/c1-4-20-17(13-14-5-7-16(19)8-6-14)15-9-11-18(2,3)12-10-15/h5-8,15,17,20H,4,9-13H2,1-3H3
InChIKeyISGYISYRSDORFM-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.33
LogP ≤ 55.03
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-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 65391253
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine (CID 65479391) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine is CCNC(Cc1ccc(I)cc1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The InChIKey is ISGYISYRSDORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28IN/c1-4-20-17(13-14-5-7-16(19)8-6-14)15-9-11-18(2,3)12-10-15/h5-8,15,17,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine has a molecular weight of 385.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 65479391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).