4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

C14H22FN3O — CID 77062044

IUPAC4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-4-18(12-7-5-11(15)6-8-12)10-9-14(2,3)13(16)17-19/h5-8,19H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyXCLLLHMWQTVKRX-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.81
Rot. Bonds6

About 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062044) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062044
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-4-18(12-7-5-11(15)6-8-12)10-9-14(2,3)13(16)17-19/h5-8,19H,4,9-10H2,1-3H3,(H2,16,17)
InChIKeyXCLLLHMWQTVKRX-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
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

6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N,N-diethyl-4-fluoroaniline
CID 592416
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062836
3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
CID 106811339
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
CID 63054688
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
CID 65267083
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062044) is 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is CCN(CCC(C)(C)C(N)=NO)c1ccc(F)cc1.
What is the InChIKey of 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is XCLLLHMWQTVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-18(12-7-5-11(15)6-8-12)10-9-14(2,3)13(16)17-19/h5-8,19H,4,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 267.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).