N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine

C16H24IN — CID 63448536

IUPACN-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C16H24IN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3
InChIKeyVXKQGAMSUKPHNL-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.91
Rot. Bonds5

About N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine

N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine (PubChem CID 63448536) has the molecular formula C16H24IN and a molecular weight of 357.28 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
PubChem CID63448536
Molecular FormulaC16H24IN
Molecular Weight357.28 g/mol
Exact Mass357.10
IUPAC NameN-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C16H24IN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3
InChIKeyVXKQGAMSUKPHNL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Related Compounds

N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 60920129
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine (CID 63448536) is N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine is CC(NCCC1CCCCC1)c1ccc(I)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine?
The InChIKey is VXKQGAMSUKPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN/c1-13(15-7-9-16(17)10-8-15)18-12-11-14-5-3-2-4-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine?
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine has a molecular weight of 357.28 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 63448536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).