2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate

C13H15F2NO2 — CID 82532965

IUPAC2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate
SMILESO=C(OCCNCc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H15F2NO2/c14-11-4-3-10(12(15)7-11)8-16-5-6-18-13(17)9-1-2-9/h3-4,7,9,16H,1-2,5-6,8H2
InChIKeyJNUXVRLCITXYQY-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.01
Rot. Bonds6

About 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate

2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate (PubChem CID 82532965) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate
PubChem CID82532965
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate
SMILESO=C(OCCNCc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H15F2NO2/c14-11-4-3-10(12(15)7-11)8-16-5-6-18-13(17)9-1-2-9/h3-4,7,9,16H,1-2,5-6,8H2
InChIKeyJNUXVRLCITXYQY-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-difluorophenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82532966
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
N-[(2,4-difluorophenyl)methyl]pent-4-yn-1-amine
CID 115656482
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate (CID 82532965) is 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate is O=C(OCCNCc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate?
The InChIKey is JNUXVRLCITXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11-4-3-10(12(15)7-11)8-16-5-6-18-13(17)9-1-2-9/h3-4,7,9,16H,1-2,5-6,8H2.
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate?
2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate has a molecular weight of 255.26 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]ethyl cyclopropanecarboxylate is sourced from PubChem (CID 82532965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).