1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine

C15H25N3O — CID 111110189

IUPAC1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-8-6-7-9-13(12)19-11-10-18-14(16-4)17-5/h6-9H,10-11H2,1-5H3,(H2,16,17,18)
InChIKeyXRPWQSYLDUMZRF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine

1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine (PubChem CID 111110189) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine
PubChem CID111110189
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-8-6-7-9-13(12)19-11-10-18-14(16-4)17-5/h6-9H,10-11H2,1-5H3,(H2,16,17,18)
InChIKeyXRPWQSYLDUMZRF-UHFFFAOYSA-N
XLogP2.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111780519
1-[2-(2-tert-butylphenoxy)ethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111765558
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-(3-ethoxypropyl)-2-methyl-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111782682
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
CID 111123466
1,2-dimethyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 110914105
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine;hydroiodide
CID 111123465
2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
CID 120989442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine (CID 111110189) is 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine is C/N=C(\NC)NCCOc1ccccc1C(C)(C)C.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine?
The InChIKey is XRPWQSYLDUMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-8-6-7-9-13(12)19-11-10-18-14(16-4)17-5/h6-9H,10-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine?
1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine has a molecular weight of 263.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 111110189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).