1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine

C15H25N3O — CID 111820754

IUPAC1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
SMILESCc1ccccc1OC(C)CN/C(N)=N/CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)9-17-15(16)18-10-13(4)19-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyZUDBPKYHWGIHRM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine

1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine (PubChem CID 111820754) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
PubChem CID111820754
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine
SMILESCc1ccccc1OC(C)CN/C(N)=N/CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)9-17-15(16)18-10-13(4)19-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyZUDBPKYHWGIHRM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
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-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
2-(2-methylphenoxy)propylhydrazine
CID 82280822
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820591
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine (CID 111820754) is 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine is Cc1ccccc1OC(C)CN/C(N)=N/CC(C)C.
What is the InChIKey of 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine?
The InChIKey is ZUDBPKYHWGIHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)9-17-15(16)18-10-13(4)19-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine?
1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)propyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).