1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine

C19H33N3O2 — CID 110977869

IUPAC1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CC(O)COC(C)c1ccccc1)NCCC(C)C
InChIInChI=1S/C19H33N3O2/c1-5-20-19(21-12-11-15(2)3)22-13-18(23)14-24-16(4)17-9-7-6-8-10-17/h6-10,15-16,18,23H,5,11-14H2,1-4H3,(H2,20,21,22)
InChIKeyJWZLVJJUPWSLJF-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.73
Rot. Bonds10

About 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine

1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine (PubChem CID 110977869) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine
PubChem CID110977869
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CC(O)COC(C)c1ccccc1)NCCC(C)C
InChIInChI=1S/C19H33N3O2/c1-5-20-19(21-12-11-15(2)3)22-13-18(23)14-24-16(4)17-9-7-6-8-10-17/h6-10,15-16,18,23H,5,11-14H2,1-4H3,(H2,20,21,22)
InChIKeyJWZLVJJUPWSLJF-UHFFFAOYSA-N
XLogP2.73
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.73
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-hydroxy-3-(1-phenylethoxy)propyl]-3-pentylguanidine;hydroiodide
CID 111130459
1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473482
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
N-ethyl-N'-[2-hydroxy-3-(1-phenylethoxy)propyl]pyrrolidine-1-carboximidamide
CID 110955724
1-benzyl-3-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-1-methylguanidine
CID 110950906
1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111011882
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[2-hydroxy-3-(1-phenylethoxy)propyl]guanidine
CID 111175643
1-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978695
1-ethyl-2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403587
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
CID 111151842
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
CID 110978559

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine (CID 110977869) is 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine is CCN/C(=N\CC(O)COC(C)c1ccccc1)NCCC(C)C.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine?
The InChIKey is JWZLVJJUPWSLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-20-19(21-12-11-15(2)3)22-13-18(23)14-24-16(4)17-9-7-6-8-10-17/h6-10,15-16,18,23H,5,11-14H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine?
1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine has a molecular weight of 335.49 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(3-methylbutyl)guanidine is sourced from PubChem (CID 110977869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).