2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol

C15H22INO — CID 65478154

IUPAC2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C15H22INO/c16-14-8-6-13(7-9-14)12-17(10-11-18)15-4-2-1-3-5-15/h6-9,15,18H,1-5,10-12H2
InChIKeyZIYFLWMGZINSRE-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.42
Rot. Bonds5

About 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol

2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol (PubChem CID 65478154) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
PubChem CID65478154
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC Name2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C15H22INO/c16-14-8-6-13(7-9-14)12-17(10-11-18)15-4-2-1-3-5-15/h6-9,15,18H,1-5,10-12H2
InChIKeyZIYFLWMGZINSRE-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65489354
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol (CID 65478154) is 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol is OCCN(Cc1ccc(I)cc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol?
The InChIKey is ZIYFLWMGZINSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c16-14-8-6-13(7-9-14)12-17(10-11-18)15-4-2-1-3-5-15/h6-9,15,18H,1-5,10-12H2.
What are the key properties of 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol?
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol has a molecular weight of 359.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol is sourced from PubChem (CID 65478154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).