1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide

C18H24IN3O — CID 111799951

IUPAC1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(CO)c2ccccc2)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-2-14-8-10-17(11-9-14)21-18(19)20-12-16(13-22)15-6-4-3-5-7-15;/h3-11,16,22H,2,12-13H2,1H3,(H3,19,20,21);1H
InChIKeyMTBVWUXDEPLRSK-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111799951) has the molecular formula C18H24IN3O and a molecular weight of 425.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
PubChem CID111799951
Molecular FormulaC18H24IN3O
Molecular Weight425.31 g/mol
Exact Mass425.10
IUPAC Name1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(CO)c2ccccc2)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-2-14-8-10-17(11-9-14)21-18(19)20-12-16(13-22)15-6-4-3-5-7-15;/h3-11,16,22H,2,12-13H2,1H3,(H3,19,20,21);1H
InChIKeyMTBVWUXDEPLRSK-UHFFFAOYSA-N
XLogP3.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.37
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111801523
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
1-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 111799976
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058063
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058064
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111799974

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide (CID 111799951) is 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CC(CO)c2ccccc2)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is MTBVWUXDEPLRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.HI/c1-2-14-8-10-17(11-9-14)21-18(19)20-12-16(13-22)15-6-4-3-5-7-15;/h3-11,16,22H,2,12-13H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111799951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).