2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine

C15H23N3O2 — CID 110913496

IUPAC2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine
SMILESN/C(=N\CCCOCC1CCCO1)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c16-15(18-13-6-2-1-3-7-13)17-9-5-10-19-12-14-8-4-11-20-14/h1-3,6-7,14H,4-5,8-12H2,(H3,16,17,18)
InChIKeyWHGMAPVTKUGEEA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine

2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine (PubChem CID 110913496) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine
PubChem CID110913496
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine
SMILESN/C(=N\CCCOCC1CCCO1)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c16-15(18-13-6-2-1-3-7-13)17-9-5-10-19-12-14-8-4-11-20-14/h1-3,6-7,14H,4-5,8-12H2,(H3,16,17,18)
InChIKeyWHGMAPVTKUGEEA-UHFFFAOYSA-N
XLogP2.00
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-methoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035965
2-[3-(oxolan-2-ylmethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111036028
1-(2,6-diethylphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036000
1-(3,4-dimethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036014
1-(3,4-dimethylphenyl)-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111801830
1-phenyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110914988
1,1-diethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111035992
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
1-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035993
2-[3-(oxolan-3-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111818596
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-(3-phenoxypropyl)guanidine
CID 111409407

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine?
The IUPAC name of 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine (CID 110913496) is 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine?
The canonical SMILES for 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine is N/C(=N\CCCOCC1CCCO1)Nc1ccccc1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine?
The InChIKey is WHGMAPVTKUGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(18-13-6-2-1-3-7-13)17-9-5-10-19-12-14-8-4-11-20-14/h1-3,6-7,14H,4-5,8-12H2,(H3,16,17,18).
What are the key properties of 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine?
2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine has a molecular weight of 277.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine is sourced from PubChem (CID 110913496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).