3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide

C11H16FN3O — CID 81366931

IUPAC3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESC[C@@H](NCC/C(N)=N/O)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O/c1-8(14-6-5-11(13)15-16)9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyOEFVTHWTNAXHHH-MRVPVSSYSA-N
MW225.27 g/mol
LogP1.61
Rot. Bonds5

About 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide

3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide (PubChem CID 81366931) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
PubChem CID81366931
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESC[C@@H](NCC/C(N)=N/O)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O/c1-8(14-6-5-11(13)15-16)9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyOEFVTHWTNAXHHH-MRVPVSSYSA-N
XLogP1.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81365911
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
3-[1-(4-chlorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77031281
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727780
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide (CID 81366931) is 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide is C[C@@H](NCC/C(N)=N/O)c1cccc(F)c1.
What is the InChIKey of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is OEFVTHWTNAXHHH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(14-6-5-11(13)15-16)9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 81366931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).