2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine

C18H27ClN4O — CID 110980663

IUPAC2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1ccc(Cl)cc1)N1CCOCC1)NCC
InChIInChI=1S/C18H27ClN4O/c1-3-9-21-18(20-4-2)22-14-17(23-10-12-24-13-11-23)15-5-7-16(19)8-6-15/h3,5-8,17H,1,4,9-14H2,2H3,(H2,20,21,22)
InChIKeyVMFIOZZELVYIDU-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine

2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine (PubChem CID 110980663) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
PubChem CID110980663
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1ccc(Cl)cc1)N1CCOCC1)NCC
InChIInChI=1S/C18H27ClN4O/c1-3-9-21-18(20-4-2)22-14-17(23-10-12-24-13-11-23)15-5-7-16(19)8-6-15/h3,5-8,17H,1,4,9-14H2,2H3,(H2,20,21,22)
InChIKeyVMFIOZZELVYIDU-UHFFFAOYSA-N
XLogP2.45
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.45
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine
CID 110981737
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988225
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-(3-ethoxypropyl)-3-ethylguanidine
CID 111222889
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235548
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981866
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981656
1-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981876
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111142797
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111312025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine (CID 110980663) is 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CC(c1ccc(Cl)cc1)N1CCOCC1)NCC.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is VMFIOZZELVYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-3-9-21-18(20-4-2)22-14-17(23-10-12-24-13-11-23)15-5-7-16(19)8-6-15/h3,5-8,17H,1,4,9-14H2,2H3,(H2,20,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine?
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 350.89 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110980663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).