2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine

C15H25N3O — CID 111100154

IUPAC2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
SMILESCCOc1ccccc1CCN=C(N(C)C)N(C)C
InChIInChI=1S/C15H25N3O/c1-6-19-14-10-8-7-9-13(14)11-12-16-15(17(2)3)18(4)5/h7-10H,6,11-12H2,1-5H3
InChIKeyLUQCRRVAYRMIJM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds5

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

2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111100154) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
PubChem CID111100154
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
SMILESCCOc1ccccc1CCN=C(N(C)C)N(C)C
InChIInChI=1S/C15H25N3O/c1-6-19-14-10-8-7-9-13(14)11-12-16-15(17(2)3)18(4)5/h7-10H,6,11-12H2,1-5H3
InChIKeyLUQCRRVAYRMIJM-UHFFFAOYSA-N
XLogP2.11
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
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-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111812934
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
CID 111044278
2-[2-(2-ethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111100181
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
1-decyl-2-ethoxybenzene
CID 175243335
1-carbamimidoyl-2-[(2-ethoxyphenyl)methyl]-1-methylguanidine
CID 24839332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine (CID 111100154) is 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine is CCOc1ccccc1CCN=C(N(C)C)N(C)C.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is LUQCRRVAYRMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-19-14-10-8-7-9-13(14)11-12-16-15(17(2)3)18(4)5/h7-10H,6,11-12H2,1-5H3.
What are the key properties of 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine?
2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 263.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111100154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).