ethanol;1-phenyl-1-propan-2-yloxyguanidine

C12H21N3O2 — CID 175317381

IUPACethanol;1-phenyl-1-propan-2-yloxyguanidine
SMILESCCO.[H]/N=C(\N)N(OC(C)C)c1ccccc1
InChIInChI=1S/C10H15N3O.C2H6O/c1-8(2)14-13(10(11)12)9-6-4-3-5-7-9;1-2-3/h3-8H,1-2H3,(H3,11,12);3H,2H2,1H3
InChIKeyIQOWPSIPZLNIRB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.73
Rot. Bonds3

About ethanol;1-phenyl-1-propan-2-yloxyguanidine

ethanol;1-phenyl-1-propan-2-yloxyguanidine (PubChem CID 175317381) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethanol;1-phenyl-1-propan-2-yloxyguanidine.

Molecular Properties

Compound Nameethanol;1-phenyl-1-propan-2-yloxyguanidine
PubChem CID175317381
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethanol;1-phenyl-1-propan-2-yloxyguanidine
SMILESCCO.[H]/N=C(\N)N(OC(C)C)c1ccccc1
InChIInChI=1S/C10H15N3O.C2H6O/c1-8(2)14-13(10(11)12)9-6-4-3-5-7-9;1-2-3/h3-8H,1-2H3,(H3,11,12);3H,2H2,1H3
InChIKeyIQOWPSIPZLNIRB-UHFFFAOYSA-N
XLogP1.73
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(N-carbamimidoylanilino) acetate
CID 141487567
1-methyl-1-(1-phenoxypropan-2-yl)guanidine
CID 139746217
1-tert-butyl-1-phenylguanidine
CID 23103889
1-phenyl-1-(2-sulfanylethyl)guanidine;hydrobromide
CID 131849253
1-phenyl-1-(N-phenylanilino)guanidine
CID 68911942
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
1-benzyl-1-phenylguanidine
CID 9460
1-phenyl-1-(1-phenylpropan-2-yloxy)urea
CID 88763231
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
1-phenyl-1-prop-2-enylguanidine
CID 95911307
1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
CID 140785268

Frequently Asked Questions

What is the IUPAC name of ethanol;1-phenyl-1-propan-2-yloxyguanidine?
The IUPAC name of ethanol;1-phenyl-1-propan-2-yloxyguanidine (CID 175317381) is ethanol;1-phenyl-1-propan-2-yloxyguanidine.
What is the SMILES notation for ethanol;1-phenyl-1-propan-2-yloxyguanidine?
The canonical SMILES for ethanol;1-phenyl-1-propan-2-yloxyguanidine is CCO.[H]/N=C(\N)N(OC(C)C)c1ccccc1.
What is the InChIKey of ethanol;1-phenyl-1-propan-2-yloxyguanidine?
The InChIKey is IQOWPSIPZLNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6O/c1-8(2)14-13(10(11)12)9-6-4-3-5-7-9;1-2-3/h3-8H,1-2H3,(H3,11,12);3H,2H2,1H3.
What are the key properties of ethanol;1-phenyl-1-propan-2-yloxyguanidine?
ethanol;1-phenyl-1-propan-2-yloxyguanidine has a molecular weight of 239.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-phenyl-1-propan-2-yloxyguanidine is sourced from PubChem (CID 175317381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).