1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C21H32N4O3 — CID 111672176

IUPAC1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1OC)N(C)C
InChIInChI=1S/C21H32N4O3/c1-6-22-20(24-15-21(2,26)19-12-9-13-28-19)23-14-17(25(3)4)16-10-7-8-11-18(16)27-5/h7-13,17,26H,6,14-15H2,1-5H3,(H2,22,23,24)
InChIKeyMFXOZQTXRVBUGZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.35
Rot. Bonds9

About 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111672176) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111672176
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1OC)N(C)C
InChIInChI=1S/C21H32N4O3/c1-6-22-20(24-15-21(2,26)19-12-9-13-28-19)23-14-17(25(3)4)16-10-7-8-11-18(16)27-5/h7-13,17,26H,6,14-15H2,1-5H3,(H2,22,23,24)
InChIKeyMFXOZQTXRVBUGZ-UHFFFAOYSA-N
XLogP2.35
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111510093
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658025
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-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
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-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
CID 111672390
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethylguanidine
CID 111594304
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111672355
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
CID 111672052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111672176) is 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccccc1OC)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is MFXOZQTXRVBUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-6-22-20(24-15-21(2,26)19-12-9-13-28-19)23-14-17(25(3)4)16-10-7-8-11-18(16)27-5/h7-13,17,26H,6,14-15H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 388.51 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111672176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).