N'-(3-hydroxy-2-phenylpropyl)methanimidamide

C10H14N2O — CID 143527635

IUPACN'-(3-hydroxy-2-phenylpropyl)methanimidamide
SMILESN/C=N/CC(CO)c1ccccc1
InChIInChI=1S/C10H14N2O/c11-8-12-6-10(7-13)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H2,11,12)
InChIKeyITNTUFHALDBTPH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.75
Rot. Bonds4

About N'-(3-hydroxy-2-phenylpropyl)methanimidamide

N'-(3-hydroxy-2-phenylpropyl)methanimidamide (PubChem CID 143527635) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-(3-hydroxy-2-phenylpropyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-2-phenylpropyl)methanimidamide
PubChem CID143527635
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN'-(3-hydroxy-2-phenylpropyl)methanimidamide
SMILESN/C=N/CC(CO)c1ccccc1
InChIInChI=1S/C10H14N2O/c11-8-12-6-10(7-13)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H2,11,12)
InChIKeyITNTUFHALDBTPH-UHFFFAOYSA-N
XLogP0.75
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
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

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
(2S)-2-amino-4-phenylhexan-1-ol
CID 68716614
O-(3-hydroxy-2-phenylpropyl) carbamothioate
CID 19956651
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
2-(3-hydroxy-2-phenylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111799938
3-[2-(hydroxymethyl)phenyl]-2-phenylpropan-1-ol
CID 101198305

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-2-phenylpropyl)methanimidamide?
The IUPAC name of N'-(3-hydroxy-2-phenylpropyl)methanimidamide (CID 143527635) is N'-(3-hydroxy-2-phenylpropyl)methanimidamide.
What is the SMILES notation for N'-(3-hydroxy-2-phenylpropyl)methanimidamide?
The canonical SMILES for N'-(3-hydroxy-2-phenylpropyl)methanimidamide is N/C=N/CC(CO)c1ccccc1.
What is the InChIKey of N'-(3-hydroxy-2-phenylpropyl)methanimidamide?
The InChIKey is ITNTUFHALDBTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-12-6-10(7-13)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H2,11,12).
What are the key properties of N'-(3-hydroxy-2-phenylpropyl)methanimidamide?
N'-(3-hydroxy-2-phenylpropyl)methanimidamide has a molecular weight of 178.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-2-phenylpropyl)methanimidamide is sourced from PubChem (CID 143527635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).