1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C20H29N3O2 — CID 111672514

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(C)cc1C
InChIInChI=1S/C20H29N3O2/c1-5-21-19(23-14-20(4,24)18-7-6-12-25-18)22-11-10-17-9-8-15(2)13-16(17)3/h6-9,12-13,24H,5,10-11,14H2,1-4H3,(H2,21,22,23)
InChIKeyHLNRBDNVWRNGDL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.90
Rot. Bonds7

About 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111672514) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111672514
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(C)cc1C
InChIInChI=1S/C20H29N3O2/c1-5-21-19(23-14-20(4,24)18-7-6-12-25-18)22-11-10-17-9-8-15(2)13-16(17)3/h6-9,12-13,24H,5,10-11,14H2,1-4H3,(H2,21,22,23)
InChIKeyHLNRBDNVWRNGDL-UHFFFAOYSA-N
XLogP2.90
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-propylguanidine
CID 111512874
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-hexylguanidine
CID 111511216
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672753
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111513312
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-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111672550
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672087
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111672401
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
CID 111672430
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-(3-methylsulfonylpropyl)guanidine
CID 111671498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111672514) is 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCCc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is HLNRBDNVWRNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-21-19(23-14-20(4,24)18-7-6-12-25-18)22-11-10-17-9-8-15(2)13-16(17)3/h6-9,12-13,24H,5,10-11,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 343.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111672514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).