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

C21H29N3O3 — CID 111672390

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C21H29N3O3/c1-4-22-19(23-14-20(2,25)18-10-7-13-27-18)24-15-21(11-12-21)16-8-5-6-9-17(16)26-3/h5-10,13,25H,4,11-12,14-15H2,1-3H3,(H2,22,23,24)
InChIKeyMKTYCEHGXDFNHJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.78
Rot. Bonds8

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

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine (PubChem CID 111672390) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
PubChem CID111672390
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C21H29N3O3/c1-4-22-19(23-14-20(2,25)18-10-7-13-27-18)24-15-21(11-12-21)16-8-5-6-9-17(16)26-3/h5-10,13,25H,4,11-12,14-15H2,1-3H3,(H2,22,23,24)
InChIKeyMKTYCEHGXDFNHJ-UHFFFAOYSA-N
XLogP2.78
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.78
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-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111671804
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-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111184147
1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552926
1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111251022
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
CID 111844901
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
CID 111672052
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
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
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methylcyclopropyl)guanidine
CID 111671934

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine (CID 111672390) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC1(c2ccccc2OC)CC1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine?
The InChIKey is MKTYCEHGXDFNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-22-19(23-14-20(2,25)18-10-7-13-27-18)24-15-21(11-12-21)16-8-5-6-9-17(16)26-3/h5-10,13,25H,4,11-12,14-15H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine has a molecular weight of 371.48 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 111672390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).