2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine

C15H25N3O2 — CID 110018620

IUPAC2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCCOCCO)c1
InChIInChI=1S/C15H25N3O2/c1-12(2)13-5-3-6-14(11-13)18-15(16)17-7-4-9-20-10-8-19/h3,5-6,11-12,19H,4,7-10H2,1-2H3,(H3,16,17,18)
InChIKeyLYGHAVTZOWJJEF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.94
Rot. Bonds8

About 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine

2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 110018620) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID110018620
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCCOCCO)c1
InChIInChI=1S/C15H25N3O2/c1-12(2)13-5-3-6-14(11-13)18-15(16)17-7-4-9-20-10-8-19/h3,5-6,11-12,19H,4,7-10H2,1-2H3,(H3,16,17,18)
InChIKeyLYGHAVTZOWJJEF-UHFFFAOYSA-N
XLogP1.94
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
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

2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608
2-[2-(2-methoxyethoxy)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111069303
2-[3-(oxolan-2-ylmethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111036028
ethyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111025644
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624
2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111816054
2-(3-methylsulfonylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111067197
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111034877
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
cyclopentyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111810898

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine (CID 110018620) is 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CCCOCCO)c1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is LYGHAVTZOWJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)13-5-3-6-14(11-13)18-15(16)17-7-4-9-20-10-8-19/h3,5-6,11-12,19H,4,7-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 279.38 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 110018620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).