3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine

C16H24IN — CID 64742976

IUPAC3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C16H24IN/c1-3-13-5-4-6-16(11-13)18-12(2)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyINKIELVVXIONGX-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.91
Rot. Bonds4

About 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine

3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine (PubChem CID 64742976) has the molecular formula C16H24IN and a molecular weight of 357.28 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
PubChem CID64742976
Molecular FormulaC16H24IN
Molecular Weight357.28 g/mol
Exact Mass357.10
IUPAC Name3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C16H24IN/c1-3-13-5-4-6-16(11-13)18-12(2)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyINKIELVVXIONGX-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine 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

3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine (CID 64742976) is 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine is CCC1CCCC(NC(C)c2ccc(I)cc2)C1.
What is the InChIKey of 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is INKIELVVXIONGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN/c1-3-13-5-4-6-16(11-13)18-12(2)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3.
What are the key properties of 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine?
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 357.28 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64742976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).