1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide

C19H33IN4O2 — CID 111236550

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC(C)COC.I
InChIInChI=1S/C19H32N4O2.HI/c1-4-20-19(22-16(2)15-24-3)21-14-18(17-8-6-5-7-9-17)23-10-12-25-13-11-23;/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyHANRRWRDARVRNH-UHFFFAOYSA-N
MW476.40 g/mol
LogP2.27
Rot. Bonds8

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide

1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide (PubChem CID 111236550) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
PubChem CID111236550
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC(C)COC.I
InChIInChI=1S/C19H32N4O2.HI/c1-4-20-19(22-16(2)15-24-3)21-14-18(17-8-6-5-7-9-17)23-10-12-25-13-11-23;/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyHANRRWRDARVRNH-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235548
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111236201
1-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236076
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236654
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
CID 111236665
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111653302
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109474837
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111124419

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide (CID 111236550) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC(C)COC.I.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The InChIKey is HANRRWRDARVRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-4-20-19(22-16(2)15-24-3)21-14-18(17-8-6-5-7-9-17)23-10-12-25-13-11-23;/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111236550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).