2-hydroxy-2-phenylpropanimidamide;hydrochloride

C9H13ClN2O — CID 75422270

IUPAC2-hydroxy-2-phenylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(O)c1ccccc1
InChIInChI=1S/C9H12N2O.ClH/c1-9(12,8(10)11)7-5-3-2-4-6-7;/h2-6,12H,1H3,(H3,10,11);1H
InChIKeyDPCMFPNQZOBWNP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.25
Rot. Bonds2

About 2-hydroxy-2-phenylpropanimidamide;hydrochloride

2-hydroxy-2-phenylpropanimidamide;hydrochloride (PubChem CID 75422270) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-hydroxy-2-phenylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-2-phenylpropanimidamide;hydrochloride
PubChem CID75422270
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-hydroxy-2-phenylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)(O)c1ccccc1
InChIInChI=1S/C9H12N2O.ClH/c1-9(12,8(10)11)7-5-3-2-4-6-7;/h2-6,12H,1H3,(H3,10,11);1H
InChIKeyDPCMFPNQZOBWNP-UHFFFAOYSA-N
XLogP1.25
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylpropanimidamide;hydrochloride?
The IUPAC name of 2-hydroxy-2-phenylpropanimidamide;hydrochloride (CID 75422270) is 2-hydroxy-2-phenylpropanimidamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-2-phenylpropanimidamide;hydrochloride?
The canonical SMILES for 2-hydroxy-2-phenylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylpropanimidamide;hydrochloride?
The InChIKey is DPCMFPNQZOBWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-9(12,8(10)11)7-5-3-2-4-6-7;/h2-6,12H,1H3,(H3,10,11);1H.
What are the key properties of 2-hydroxy-2-phenylpropanimidamide;hydrochloride?
2-hydroxy-2-phenylpropanimidamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylpropanimidamide;hydrochloride is sourced from PubChem (CID 75422270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).