2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine

C15H22IN — CID 65477706

IUPAC2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-11-3-2-4-13(9-11)15(17)10-12-5-7-14(16)8-6-12/h5-8,11,13,15H,2-4,9-10,17H2,1H3
InChIKeyZLCJFURFRGBQGX-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine

2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 65477706) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID65477706
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-11-3-2-4-13(9-11)15(17)10-12-5-7-14(16)8-6-12/h5-8,11,13,15H,2-4,9-10,17H2,1H3
InChIKeyZLCJFURFRGBQGX-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.99
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-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65476305
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
[2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210294
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65415744
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine (CID 65477706) is 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)Cc2ccc(I)cc2)C1.
What is the InChIKey of 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is ZLCJFURFRGBQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-11-3-2-4-13(9-11)15(17)10-12-5-7-14(16)8-6-12/h5-8,11,13,15H,2-4,9-10,17H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine?
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 343.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 65477706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).