2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine

C15H23N3O2 — CID 111335963

IUPAC2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
SMILESCC(O)(C/N=C(\N)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(19,12-6-3-2-4-7-12)11-18-14(16)17-10-13-8-5-9-20-13/h2-4,6-7,13,19H,5,8-11H2,1H3,(H3,16,17,18)
InChIKeySFMNFKDJWOHKAR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine

2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 111335963) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
PubChem CID111335963
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
SMILESCC(O)(C/N=C(\N)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(19,12-6-3-2-4-7-12)11-18-14(16)17-10-13-8-5-9-20-13/h2-4,6-7,13,19H,5,8-11H2,1H3,(H3,16,17,18)
InChIKeySFMNFKDJWOHKAR-UHFFFAOYSA-N
XLogP0.98
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.98
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'}

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Related Compounds

1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111510673
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
2-[[2-(methylsulfonylmethyl)phenyl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111799806
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119117160
N,N-dimethyl-2-[[[(2-methyl-2-phenylpropyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110035855
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110926616
2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
CID 120587797

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine (CID 111335963) is 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine is CC(O)(C/N=C(\N)NCC1CCCO1)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is SFMNFKDJWOHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(19,12-6-3-2-4-7-12)11-18-14(16)17-10-13-8-5-9-20-13/h2-4,6-7,13,19H,5,8-11H2,1H3,(H3,16,17,18).
What are the key properties of 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine?
2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 277.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111335963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).