1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

C19H25N3O2 — CID 111811244

IUPAC1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCOc1cccc(N/C(N)=N/CCOc2ccccc2C(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)17-9-4-5-10-18(17)24-12-11-21-19(20)22-15-7-6-8-16(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H3,20,21,22)
InChIKeyVPZCTXCDEWIASQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.62
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (PubChem CID 111811244) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
PubChem CID111811244
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCOc1cccc(N/C(N)=N/CCOc2ccccc2C(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)17-9-4-5-10-18(17)24-12-11-21-19(20)22-15-7-6-8-16(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H3,20,21,22)
InChIKeyVPZCTXCDEWIASQ-UHFFFAOYSA-N
XLogP3.62
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
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-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811230
1-(3-chloro-4-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811222
2-[2-(2-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111807687
2-[2-(2,4-difluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111752173
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032367
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
2-[2-[di(propan-2-yl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111026259
N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101624
N-[3-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101685

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (CID 111811244) is 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is COc1cccc(N/C(N)=N/CCOc2ccccc2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The InChIKey is VPZCTXCDEWIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)17-9-4-5-10-18(17)24-12-11-21-19(20)22-15-7-6-8-16(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111811244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).