N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine

C11H15F2NO — CID 43590720

IUPACN-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-2-15-6-5-14-8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyCJJUYAVKBWIRJL-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine

N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine (PubChem CID 43590720) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
PubChem CID43590720
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-2-15-6-5-14-8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyCJJUYAVKBWIRJL-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(2-bromo-5-fluorophenyl)methyl]-2-propoxyethanamine
CID 106451724
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(5-bromo-2-fluorophenyl)methyl]-2-butoxyethanamine
CID 61168889
2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
N-[(2,5-difluorophenyl)methyl]pent-3-yn-1-amine
CID 104806918
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 43242817

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine (CID 43590720) is N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine is CCOCCNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine?
The InChIKey is CJJUYAVKBWIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-15-6-5-14-8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine?
N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 43590720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).