2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine

C19H25N3O — CID 111799934

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-9-6-10-18(11-16)22-19(20)21-12-17(13-23)15-7-4-3-5-8-15/h3-11,14,17,23H,12-13H2,1-2H3,(H3,20,21,22)
InChIKeyWNKPCSITWQAELX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.31
Rot. Bonds6

About 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine

2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111799934) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111799934
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-14(2)16-9-6-10-18(11-16)22-19(20)21-12-17(13-23)15-7-4-3-5-8-15/h3-11,14,17,23H,12-13H2,1-2H3,(H3,20,21,22)
InChIKeyWNKPCSITWQAELX-UHFFFAOYSA-N
XLogP3.31
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.31
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

2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
2-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111800117
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 111799976
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine (CID 111799934) is 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is WNKPCSITWQAELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)16-9-6-10-18(11-16)22-19(20)21-12-17(13-23)15-7-4-3-5-8-15/h3-11,14,17,23H,12-13H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).