1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine

C21H27N3O — CID 109408416

IUPAC1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(CO)c1ccccc1)NC1CC1c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-22-21(23-14-18(15-25)16-9-5-3-6-10-16)24-20-13-19(20)17-11-7-4-8-12-17/h3-12,18-20,25H,2,13-15H2,1H3,(H2,22,23,24)
InChIKeyHPHMROINZWHXNL-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.87
Rot. Bonds7

About 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine

1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine (PubChem CID 109408416) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
PubChem CID109408416
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(CO)c1ccccc1)NC1CC1c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-22-21(23-14-18(15-25)16-9-5-3-6-10-16)24-20-13-19(20)17-11-7-4-8-12-17/h3-12,18-20,25H,2,13-15H2,1H3,(H2,22,23,24)
InChIKeyHPHMROINZWHXNL-UHFFFAOYSA-N
XLogP2.87
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
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-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111251167
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111380773
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109407885
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
CID 109410705
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109408451
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 109410345

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine (CID 109408416) is 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine is CCN/C(=N\CC(CO)c1ccccc1)NC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is HPHMROINZWHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-22-21(23-14-18(15-25)16-9-5-3-6-10-16)24-20-13-19(20)17-11-7-4-8-12-17/h3-12,18-20,25H,2,13-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine?
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 337.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 109408416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).