hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate

C12H18FN3O2 — CID 66338215

IUPAChydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
SMILESCC(c1ccccc1F)N(C)CCC(=O)ONN
InChIInChI=1S/C12H18FN3O2/c1-9(10-5-3-4-6-11(10)13)16(2)8-7-12(17)18-15-14/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyNTJWBDZQMNPXCB-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.13
Rot. Bonds6

About hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate

hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate (PubChem CID 66338215) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
PubChem CID66338215
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Namehydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
SMILESCC(c1ccccc1F)N(C)CCC(=O)ONN
InChIInChI=1S/C12H18FN3O2/c1-9(10-5-3-4-6-11(10)13)16(2)8-7-12(17)18-15-14/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyNTJWBDZQMNPXCB-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
CID 66336754
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
CID 79413938
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62985120
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate?
The IUPAC name of hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate (CID 66338215) is hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate.
What is the SMILES notation for hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate?
The canonical SMILES for hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate is CC(c1ccccc1F)N(C)CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate?
The InChIKey is NTJWBDZQMNPXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-9(10-5-3-4-6-11(10)13)16(2)8-7-12(17)18-15-14/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate?
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate has a molecular weight of 255.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate is sourced from PubChem (CID 66338215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).