2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine

C15H25N3O2 — CID 111061293

IUPAC2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCOCCOc1ccc(C/N=C(\N)NCC(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)10-17-15(16)18-11-13-4-6-14(7-5-13)20-9-8-19-3/h4-7,12H,8-11H2,1-3H3,(H3,16,17,18)
InChIKeyGSIRGQRDTACSNX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.77
Rot. Bonds8

About 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine

2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine (PubChem CID 111061293) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
PubChem CID111061293
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCOCCOc1ccc(C/N=C(\N)NCC(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)10-17-15(16)18-11-13-4-6-14(7-5-13)20-9-8-19-3/h4-7,12H,8-11H2,1-3H3,(H3,16,17,18)
InChIKeyGSIRGQRDTACSNX-UHFFFAOYSA-N
XLogP1.77
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.77
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

2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylpropyl)guanidine
CID 111180653
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111805056
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049649
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111100906
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111095628
2-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111095709

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine (CID 111061293) is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine is COCCOc1ccc(C/N=C(\N)NCC(C)C)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is GSIRGQRDTACSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)10-17-15(16)18-11-13-4-6-14(7-5-13)20-9-8-19-3/h4-7,12H,8-11H2,1-3H3,(H3,16,17,18).
What are the key properties of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine?
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 279.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111061293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).