[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide

C16H26INO2 — CID 122144014

IUPAC[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide
SMILESCN(CCOc1ccccc1)C1CCC(CO)CC1.I
InChIInChI=1S/C16H25NO2.HI/c1-17(15-9-7-14(13-18)8-10-15)11-12-19-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3;1H
InChIKeyPQZSGJUMPWHTQA-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.17
Rot. Bonds6

About [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide

[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide (PubChem CID 122144014) has the molecular formula C16H26INO2 and a molecular weight of 391.29 g/mol. Its IUPAC name is [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide.

Molecular Properties

Compound Name[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide
PubChem CID122144014
Molecular FormulaC16H26INO2
Molecular Weight391.29 g/mol
Exact Mass391.10
IUPAC Name[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide
SMILESCN(CCOc1ccccc1)C1CCC(CO)CC1.I
InChIInChI=1S/C16H25NO2.HI/c1-17(15-9-7-14(13-18)8-10-15)11-12-19-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3;1H
InChIKeyPQZSGJUMPWHTQA-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]boronic acid
CID 54971054
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
(E)-3-[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 109375428
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
4-[2-[methyl(oxan-4-yl)amino]ethoxy]benzoic acid
CID 43611392
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide?
The IUPAC name of [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide (CID 122144014) is [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide.
What is the SMILES notation for [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide?
The canonical SMILES for [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide is CN(CCOc1ccccc1)C1CCC(CO)CC1.I.
What is the InChIKey of [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide?
The InChIKey is PQZSGJUMPWHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.HI/c1-17(15-9-7-14(13-18)8-10-15)11-12-19-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3;1H.
What are the key properties of [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide?
[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide has a molecular weight of 391.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide is sourced from PubChem (CID 122144014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).