4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H23FN4O — CID 103189151

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cc1F)C(C)CN(C)C
InChIInChI=1S/C14H23FN4O/c1-5-19(10(2)9-18(3)4)13-7-6-11(8-12(13)15)14(16)17-20/h6-8,10,20H,5,9H2,1-4H3,(H2,16,17)
InChIKeyXRQINJLRYYHULT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.70
Rot. Bonds6

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 103189151) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID103189151
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cc1F)C(C)CN(C)C
InChIInChI=1S/C14H23FN4O/c1-5-19(10(2)9-18(3)4)13-7-6-11(8-12(13)15)14(16)17-20/h6-8,10,20H,5,9H2,1-4H3,(H2,16,17)
InChIKeyXRQINJLRYYHULT-UHFFFAOYSA-N
XLogP1.70
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[butan-2-yl(methyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658169
4-chloro-2-[1-(dimethylamino)propan-2-yl-ethylamino]-N'-hydroxybenzenecarboximidamide
CID 103189143
3-fluoro-N'-hydroxy-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 81055754
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarbothioamide
CID 103188991
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658138
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76930802
3-fluoro-N'-hydroxy-4-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 76931137
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 103189151) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCN(c1ccc(/C(N)=N/O)cc1F)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XRQINJLRYYHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-5-19(10(2)9-18(3)4)13-7-6-11(8-12(13)15)14(16)17-20/h6-8,10,20H,5,9H2,1-4H3,(H2,16,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 103189151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).