N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine

C15H22IN — CID 43775619

IUPACN-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C15H22IN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13,17H,2-6,11H2,1H3
InChIKeyZUCKJGAXEZCFAS-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.52
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine

N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine (PubChem CID 43775619) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
PubChem CID43775619
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC NameN-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C15H22IN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13,17H,2-6,11H2,1H3
InChIKeyZUCKJGAXEZCFAS-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.52
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-propan-2-ylphenyl)ethanamine
CID 43215868
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-cyclopentyloxy-1-(4-iodophenyl)ethanamine
CID 83229254
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
5-[1-(cyclohexylmethylamino)ethyl]pyridin-2-amine
CID 155167486

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine (CID 43775619) is N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine is CC(NCC1CCCCC1)c1ccc(I)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine?
The InChIKey is ZUCKJGAXEZCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13,17H,2-6,11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine?
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine has a molecular weight of 343.25 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 43775619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).