2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine

C15H16ClN3O — CID 111456543

IUPAC2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
SMILESN/C(=N\CC(O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h1-9,14,20H,10H2,(H3,17,18,19)
InChIKeyIRIBMKXLPXEHCW-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine

2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine (PubChem CID 111456543) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
PubChem CID111456543
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
SMILESN/C(=N\CC(O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h1-9,14,20H,10H2,(H3,17,18,19)
InChIKeyIRIBMKXLPXEHCW-UHFFFAOYSA-N
XLogP2.80
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.80
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-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111801086
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111801115
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110925966
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111801083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine (CID 111456543) is 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine is N/C(=N\CC(O)c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine?
The InChIKey is IRIBMKXLPXEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-9-5-4-8-12(13)14(20)10-18-15(17)19-11-6-2-1-3-7-11/h1-9,14,20H,10H2,(H3,17,18,19).
What are the key properties of 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine?
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine has a molecular weight of 289.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine is sourced from PubChem (CID 111456543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).