1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine

C16H27N3O2 — CID 111790518

IUPAC1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCc1ccc(O)cc1)NCCCOC
InChIInChI=1S/C16H27N3O2/c1-3-17-16(19-12-5-13-21-2)18-11-4-6-14-7-9-15(20)10-8-14/h7-10,20H,3-6,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyIOSKWCBKCPTUKT-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.92
Rot. Bonds9

About 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine

1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine (PubChem CID 111790518) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine
PubChem CID111790518
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCc1ccc(O)cc1)NCCCOC
InChIInChI=1S/C16H27N3O2/c1-3-17-16(19-12-5-13-21-2)18-11-4-6-14-7-9-15(20)10-8-14/h7-10,20H,3-6,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyIOSKWCBKCPTUKT-UHFFFAOYSA-N
XLogP1.92
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-methoxyethyl)guanidine
CID 111790084
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111797919
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(5-methoxypentyl)guanidine
CID 111197170
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111405972
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111796451
2-[3-(3-bromophenyl)propyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111768697
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110975009
1-(3-ethoxypropyl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111223207
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170429
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111794182
1-ethyl-2-(3-phenylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111199186
1-ethyl-3-(3-methoxypropyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 110976052

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine (CID 111790518) is 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine is CCN/C(=N\CCCc1ccc(O)cc1)NCCCOC.
What is the InChIKey of 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine?
The InChIKey is IOSKWCBKCPTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-16(19-12-5-13-21-2)18-11-4-6-14-7-9-15(20)10-8-14/h7-10,20H,3-6,11-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine?
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine has a molecular weight of 293.41 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 111790518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).