2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine

C14H23N3O — CID 111024094

IUPAC2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(CCN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)14(17(3)4)15-11-10-12-6-8-13(18-5)9-7-12/h6-9H,10-11H2,1-5H3
InChIKeyOQHFZVQQVJRPKW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine

2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111024094) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
PubChem CID111024094
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(CCN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)14(17(3)4)15-11-10-12-6-8-13(18-5)9-7-12/h6-9H,10-11H2,1-5H3
InChIKeyOQHFZVQQVJRPKW-UHFFFAOYSA-N
XLogP1.72
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 97328084
2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111089152
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-ethyl-2-[2-(4-methoxyphenyl)ethyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001632
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
2-[2-(4-methoxyphenyl)ethyl]-1-[(1R,2S)-2-methylcyclopropyl]guanidine
CID 98435856
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-methylguanidine
CID 111241733
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine (CID 111024094) is 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine is COc1ccc(CCN=C(N(C)C)N(C)C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is OQHFZVQQVJRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)14(17(3)4)15-11-10-12-6-8-13(18-5)9-7-12/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111024094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).