N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

C15H23F2NO2 — CID 106450448

IUPACN-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCCOCC(C)C)c(F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-18-9-12-7-13(16)15(14(17)8-12)20-6-5-19-10-11(2)3/h7-8,11,18H,4-6,9-10H2,1-3H3
InChIKeyMZCTXODJWJVSGL-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.13
Rot. Bonds9

About N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 106450448) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID106450448
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCCOCC(C)C)c(F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-18-9-12-7-13(16)15(14(17)8-12)20-6-5-19-10-11(2)3/h7-8,11,18H,4-6,9-10H2,1-3H3
InChIKeyMZCTXODJWJVSGL-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.13
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

N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[(3,5-difluoro-4-pent-3-ynoxyphenyl)methyl]ethanamine
CID 113455301
1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
CID 114492190
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-[[4-(2,3-dichloroprop-2-enoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79892169

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (CID 106450448) is N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(F)c(OCCOCC(C)C)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is MZCTXODJWJVSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-18-9-12-7-13(16)15(14(17)8-12)20-6-5-19-10-11(2)3/h7-8,11,18H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 287.35 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 106450448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).