N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine

C16H17F2NO2 — CID 63070603

IUPACN-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO2/c1-20-10-9-19-11-12-5-2-3-7-14(12)21-15-8-4-6-13(17)16(15)18/h2-8,19H,9-11H2,1H3
InChIKeyZNGKECFMZIVJGI-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.49
Rot. Bonds7

About N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine

N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63070603) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID63070603
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO2/c1-20-10-9-19-11-12-5-2-3-7-14(12)21-15-8-4-6-13(17)16(15)18/h2-8,19H,9-11H2,1H3
InChIKeyZNGKECFMZIVJGI-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.49
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-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine (CID 63070603) is N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1Oc1cccc(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is ZNGKECFMZIVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-20-10-9-19-11-12-5-2-3-7-14(12)21-15-8-4-6-13(17)16(15)18/h2-8,19H,9-11H2,1H3.
What are the key properties of N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).