3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide

C10H14FN3O — CID 77029790

IUPAC3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
SMILESNC(CCNCc1cccc(F)c1)=NO
InChIInChI=1S/C10H14FN3O/c11-9-3-1-2-8(6-9)7-13-5-4-10(12)14-15/h1-3,6,13,15H,4-5,7H2,(H2,12,14)
InChIKeyXLMTWXHVORGPRT-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.05
Rot. Bonds5

About 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide

3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide (PubChem CID 77029790) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
PubChem CID77029790
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
SMILESNC(CCNCc1cccc(F)c1)=NO
InChIInChI=1S/C10H14FN3O/c11-9-3-1-2-8(6-9)7-13-5-4-10(12)14-15/h1-3,6,13,15H,4-5,7H2,(H2,12,14)
InChIKeyXLMTWXHVORGPRT-UHFFFAOYSA-N
XLogP1.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
N-[(3-fluorophenyl)methyl]but-3-yn-1-amine
CID 63656043
4-[(2,5-difluorophenyl)methylamino]-N'-hydroxybutanimidamide
CID 77028287
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide (CID 77029790) is 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide is NC(CCNCc1cccc(F)c1)=NO.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide?
The InChIKey is XLMTWXHVORGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-9-3-1-2-8(6-9)7-13-5-4-10(12)14-15/h1-3,6,13,15H,4-5,7H2,(H2,12,14).
What are the key properties of 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide?
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide has a molecular weight of 211.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77029790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).