1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine

C15H25N3O — CID 111071967

IUPAC1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine
SMILESCC(C)N/C(N)=N/CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)13-5-7-14(8-6-13)19-10-9-17-15(16)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyQNGXCXKIAMNBCI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds6

About 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine

1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine (PubChem CID 111071967) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine
PubChem CID111071967
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine
SMILESCC(C)N/C(N)=N/CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)13-5-7-14(8-6-13)19-10-9-17-15(16)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyQNGXCXKIAMNBCI-UHFFFAOYSA-N
XLogP2.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
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-(4-bromophenoxy)ethyl]-1-propan-2-ylguanidine
CID 111088989
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
2-[2-(3,5-dimethylphenoxy)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111078526
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine
CID 111071989
2-[4-(4-phenylmethoxyphenoxy)butyl]-1-propan-2-ylguanidine
CID 111044090
2-[2-(3-tert-butylphenoxy)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111813077
2-[2-(4-bromophenoxy)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111089027
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
2-[2-(2,4-difluorophenoxy)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111752212
1-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111073084

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine?
The IUPAC name of 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine (CID 111071967) is 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine is CC(C)N/C(N)=N/CCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine?
The InChIKey is QNGXCXKIAMNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)13-5-7-14(8-6-13)19-10-9-17-15(16)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine?
1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[2-(4-propan-2-ylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111071967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).