1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C22H34N4O2 — CID 111510093

IUPAC1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C22H34N4O2/c1-5-23-21(25-17-22(4,27)20-14-11-15-28-20)24-16-19(26(6-2)7-3)18-12-9-8-10-13-18/h8-15,19,27H,5-7,16-17H2,1-4H3,(H2,23,24,25)
InChIKeyKBKJUEYXMXDYIQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.13
Rot. Bonds10

About 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111510093) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111510093
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C22H34N4O2/c1-5-23-21(25-17-22(4,27)20-14-11-15-28-20)24-16-19(26(6-2)7-3)18-12-9-8-10-13-18/h8-15,19,27H,5-7,16-17H2,1-4H3,(H2,23,24,25)
InChIKeyKBKJUEYXMXDYIQ-UHFFFAOYSA-N
XLogP3.13
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.13
H-Bond Donors ≤ 53
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

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109411016
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672176
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109418373
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111672355
1-[3-(dipropylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671885
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-prop-2-enylguanidine;hydroiodide
CID 111495185
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111011215
N-[3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]propyl]benzamide
CID 111672794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111510093) is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is KBKJUEYXMXDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-5-23-21(25-17-22(4,27)20-14-11-15-28-20)24-16-19(26(6-2)7-3)18-12-9-8-10-13-18/h8-15,19,27H,5-7,16-17H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 386.54 g/mol, XLogP of 3.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111510093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).