3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide

C14H22FN3O2 — CID 76910346

IUPAC3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1ccc(OC)c(F)c1)CC(C)C(N)=NO
InChIInChI=1S/C14H22FN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-5-6-13(20-3)12(15)7-11/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyBCDYRYOWGLRZPZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.04
Rot. Bonds7

About 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910346) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910346
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1ccc(OC)c(F)c1)CC(C)C(N)=NO
InChIInChI=1S/C14H22FN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-5-6-13(20-3)12(15)7-11/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyBCDYRYOWGLRZPZ-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.04
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

3-[(3-bromo-4-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910383
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910382
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910782
3-[(4-tert-butylphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910333
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77073419
3-[(2-chloro-3-fluorophenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112652360
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910346) is 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(Cc1ccc(OC)c(F)c1)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is BCDYRYOWGLRZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-5-6-13(20-3)12(15)7-11/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 283.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).