N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide

C14H22IN3O2 — CID 111067391

IUPACN'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1ccc(C(O)C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C14H21N3O2.HI/c1-11-2-4-12(5-3-11)13(18)10-16-14(15)17-6-8-19-9-7-17;/h2-5,13,18H,6-10H2,1H3,(H2,15,16);1H
InChIKeyHBRLRTZNZJKTFA-UHFFFAOYSA-N
MW391.25 g/mol
LogP1.29
Rot. Bonds3

About N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111067391) has the molecular formula C14H22IN3O2 and a molecular weight of 391.25 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111067391
Molecular FormulaC14H22IN3O2
Molecular Weight391.25 g/mol
Exact Mass391.08
IUPAC NameN'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1ccc(C(O)C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C14H21N3O2.HI/c1-11-2-4-12(5-3-11)13(18)10-16-14(15)17-6-8-19-9-7-17;/h2-5,13,18H,6-10H2,1H3,(H2,15,16);1H
InChIKeyHBRLRTZNZJKTFA-UHFFFAOYSA-N
XLogP1.29
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111074772
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367721
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290
tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]-1-(4-propan-2-ylphenyl)ethyl]carbamate;hydroiodide
CID 111101184
N'-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111101726
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111067391) is N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide is Cc1ccc(C(O)C/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is HBRLRTZNZJKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.HI/c1-11-2-4-12(5-3-11)13(18)10-16-14(15)17-6-8-19-9-7-17;/h2-5,13,18H,6-10H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 391.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111067391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).