2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine

C14H23N3O — CID 111044278

IUPAC2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
SMILESCCOc1ccccc1C/N=C(\N)N(CC)CC
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)14(15)16-11-12-9-7-8-10-13(12)18-6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16)
InChIKeyMRUCSCNBMTWWLA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine

2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine (PubChem CID 111044278) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
PubChem CID111044278
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
SMILESCCOc1ccccc1C/N=C(\N)N(CC)CC
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)14(15)16-11-12-9-7-8-10-13(12)18-6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16)
InChIKeyMRUCSCNBMTWWLA-UHFFFAOYSA-N
XLogP2.24
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

1,1-diethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810186
1-carbamimidoyl-2-[(2-ethoxyphenyl)methyl]-1-methylguanidine
CID 24839332
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448
2-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
1,1-diethyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111053695
1,1-diethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070705
1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111751877
1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808570
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111100154
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine
CID 110062385

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine (CID 111044278) is 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine is CCOc1ccccc1C/N=C(\N)N(CC)CC.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine?
The InChIKey is MRUCSCNBMTWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(5-2)14(15)16-11-12-9-7-8-10-13(12)18-6-3/h7-10H,4-6,11H2,1-3H3,(H2,15,16).
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine?
2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine has a molecular weight of 249.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine is sourced from PubChem (CID 111044278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).