2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

C19H32ClIN4O2 — CID 111235548

IUPAC2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC(C)COC.I
InChIInChI=1S/C19H31ClN4O2.HI/c1-4-21-19(23-15(2)14-25-3)22-13-18(24-9-11-26-12-10-24)16-5-7-17(20)8-6-16;/h5-8,15,18H,4,9-14H2,1-3H3,(H2,21,22,23);1H
InChIKeyQQHNHSLNLFSNEU-UHFFFAOYSA-N
MW510.85 g/mol
LogP2.92
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111235548) has the molecular formula C19H32ClIN4O2 and a molecular weight of 510.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111235548
Molecular FormulaC19H32ClIN4O2
Molecular Weight510.85 g/mol
Exact Mass510.13
IUPAC Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC(C)COC.I
InChIInChI=1S/C19H31ClN4O2.HI/c1-4-21-19(23-15(2)14-25-3)22-13-18(24-9-11-26-12-10-24)16-5-7-17(20)8-6-16;/h5-8,15,18H,4,9-14H2,1-3H3,(H2,21,22,23);1H
InChIKeyQQHNHSLNLFSNEU-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.85
LogP ≤ 52.92
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

1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111236550
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111236201
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236654
1-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236076
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234364
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895744
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988225
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222889
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980663
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111124419
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111235548) is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccc(Cl)cc1)N1CCOCC1)NC(C)COC.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is QQHNHSLNLFSNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O2.HI/c1-4-21-19(23-15(2)14-25-3)22-13-18(24-9-11-26-12-10-24)16-5-7-17(20)8-6-16;/h5-8,15,18H,4,9-14H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 510.85 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111235548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).