2-(2-hydroxyethyl)-1-phenylguanidine

C9H13N3O — CID 57066728

IUPAC2-(2-hydroxyethyl)-1-phenylguanidine
SMILESN/C(=N\CCO)Nc1ccccc1
InChIInChI=1S/C9H13N3O/c10-9(11-6-7-13)12-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H3,10,11,12)
InChIKeyBEVPRDBQJHZFJI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-hydroxyethyl)-1-phenylguanidine

2-(2-hydroxyethyl)-1-phenylguanidine (PubChem CID 57066728) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-phenylguanidine
PubChem CID57066728
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(2-hydroxyethyl)-1-phenylguanidine
SMILESN/C(=N\CCO)Nc1ccccc1
InChIInChI=1S/C9H13N3O/c10-9(11-6-7-13)12-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H3,10,11,12)
InChIKeyBEVPRDBQJHZFJI-UHFFFAOYSA-N
XLogP0.41
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.41
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-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-phenylguanidine;hydroiodide
CID 111105232
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine
CID 90644718
2-dodecyl-1-phenylguanidine
CID 101076594
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
CID 90644717
1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
2-benzyl-1-phenylguanidine
CID 12910062
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
2-(2-hydroxyethyl)-1-[4-[5-[4-[[N'-(2-hydroxyethyl)carbamimidoyl]amino]phenyl]furan-2-yl]phenyl]guanidine
CID 71378538
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1-phenylguanidine?
The IUPAC name of 2-(2-hydroxyethyl)-1-phenylguanidine (CID 57066728) is 2-(2-hydroxyethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-hydroxyethyl)-1-phenylguanidine is N/C(=N\CCO)Nc1ccccc1.
What is the InChIKey of 2-(2-hydroxyethyl)-1-phenylguanidine?
The InChIKey is BEVPRDBQJHZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(11-6-7-13)12-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H3,10,11,12).
What are the key properties of 2-(2-hydroxyethyl)-1-phenylguanidine?
2-(2-hydroxyethyl)-1-phenylguanidine has a molecular weight of 179.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1-phenylguanidine is sourced from PubChem (CID 57066728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).