2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine

C15H23N3O3 — CID 136922434

IUPAC2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-15(16)18-9-14(19)11-5-12(20-3)7-13(6-11)21-4/h5-7,14,19H,1,8-9H2,2-4H3,(H3,16,17,18)
InChIKeyDUFTWKBQFINDKQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.22
Rot. Bonds7

About 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine

2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 136922434) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID136922434
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-15(16)18-9-14(19)11-5-12(20-3)7-13(6-11)21-4/h5-7,14,19H,1,8-9H2,2-4H3,(H3,16,17,18)
InChIKeyDUFTWKBQFINDKQ-UHFFFAOYSA-N
XLogP1.22
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-2-pyridin-4-ylethyl)-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136726358
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(4-ethylphenyl)guanidine
CID 111801150
2-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 137062636
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
2-[2-(4-fluorophenyl)-2-methoxyethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136926778
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111801171
1-(cyclobutylmethyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803150
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
2-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136921177
2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
CID 136921150
2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine (CID 136922434) is 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is DUFTWKBQFINDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)8-17-15(16)18-9-14(19)11-5-12(20-3)7-13(6-11)21-4/h5-7,14,19H,1,8-9H2,2-4H3,(H3,16,17,18).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine?
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 293.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 136922434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).