1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine

C19H27F3N4O — CID 110981737

IUPAC1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)NCC
InChIInChI=1S/C19H27F3N4O/c1-3-9-24-18(23-4-2)25-14-17(26-10-12-27-13-11-26)15-5-7-16(8-6-15)19(20,21)22/h3,5-8,17H,1,4,9-14H2,2H3,(H2,23,24,25)
InChIKeySUWVYEVHDMPGMW-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.82
Rot. Bonds7

About 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine

1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine (PubChem CID 110981737) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine
PubChem CID110981737
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)NCC
InChIInChI=1S/C19H27F3N4O/c1-3-9-24-18(23-4-2)25-14-17(26-10-12-27-13-11-26)15-5-7-16(8-6-15)19(20,21)22/h3,5-8,17H,1,4,9-14H2,2H3,(H2,23,24,25)
InChIKeySUWVYEVHDMPGMW-UHFFFAOYSA-N
XLogP2.82
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.82
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

2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980663
1-ethyl-3-(3-methoxypropyl)-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 110975304
1-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473626
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
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981866
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981876
1-tert-butyl-3-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110966215
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111312025
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111954269
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)guanidine
CID 110978529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine (CID 110981737) is 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine is C=CCN/C(=N/CC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)NCC.
What is the InChIKey of 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine?
The InChIKey is SUWVYEVHDMPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-3-9-24-18(23-4-2)25-14-17(26-10-12-27-13-11-26)15-5-7-16(8-6-15)19(20,21)22/h3,5-8,17H,1,4,9-14H2,2H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine?
1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine has a molecular weight of 384.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110981737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).