2-cyclohexyl-1-(4-iodophenyl)ethanamine

C14H20IN — CID 115841897

IUPAC2-cyclohexyl-1-(4-iodophenyl)ethanamine
SMILESNC(CC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C14H20IN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,16H2
InChIKeyRXQIRPRKGBIAAB-UHFFFAOYSA-N
MW329.22 g/mol
LogP4.26
Rot. Bonds3

About 2-cyclohexyl-1-(4-iodophenyl)ethanamine

2-cyclohexyl-1-(4-iodophenyl)ethanamine (PubChem CID 115841897) has the molecular formula C14H20IN and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-iodophenyl)ethanamine
PubChem CID115841897
Molecular FormulaC14H20IN
Molecular Weight329.22 g/mol
Exact Mass329.06
IUPAC Name2-cyclohexyl-1-(4-iodophenyl)ethanamine
SMILESNC(CC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C14H20IN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,16H2
InChIKeyRXQIRPRKGBIAAB-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.26
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

2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(4-iodophenyl)ethanamine (CID 115841897) is 2-cyclohexyl-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(4-iodophenyl)ethanamine is NC(CC1CCCCC1)c1ccc(I)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-iodophenyl)ethanamine?
The InChIKey is RXQIRPRKGBIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,16H2.
What are the key properties of 2-cyclohexyl-1-(4-iodophenyl)ethanamine?
2-cyclohexyl-1-(4-iodophenyl)ethanamine has a molecular weight of 329.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115841897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).