N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide

C18H30N4O2 — CID 111037502

IUPACN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
SMILESCCN(CC)C(C/N=C(\N)N1CCOCC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O2/c1-4-21(5-2)17(15-7-6-8-16(13-15)23-3)14-20-18(19)22-9-11-24-12-10-22/h6-8,13,17H,4-5,9-12,14H2,1-3H3,(H2,19,20)
InChIKeyHGXKNTLYHQLXLT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.73
Rot. Bonds7

About N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide

N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide (PubChem CID 111037502) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
PubChem CID111037502
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
SMILESCCN(CC)C(C/N=C(\N)N1CCOCC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O2/c1-4-21(5-2)17(15-7-6-8-16(13-15)23-3)14-20-18(19)22-9-11-24-12-10-22/h6-8,13,17H,4-5,9-12,14H2,1-3H3,(H2,19,20)
InChIKeyHGXKNTLYHQLXLT-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
CID 110029656
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111037534
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111037543
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide (CID 111037502) is N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide is CCN(CC)C(C/N=C(\N)N1CCOCC1)c1cccc(OC)c1.
What is the InChIKey of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The InChIKey is HGXKNTLYHQLXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-21(5-2)17(15-7-6-8-16(13-15)23-3)14-20-18(19)22-9-11-24-12-10-22/h6-8,13,17H,4-5,9-12,14H2,1-3H3,(H2,19,20).
What are the key properties of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide has a molecular weight of 334.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111037502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).