N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine

C17H20FNO2 — CID 107169953

IUPACN-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-13-7-8-15(11-16(13)18)21-17-6-4-3-5-14(17)12-19-9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyNKVRIIMBLYNRKU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.66
Rot. Bonds7

About N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine

N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 107169953) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID107169953
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-13-7-8-15(11-16(13)18)21-17-6-4-3-5-14(17)12-19-9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyNKVRIIMBLYNRKU-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.66
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-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
N-[[2-chloro-6-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169925

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine (CID 107169953) is N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1Oc1ccc(C)c(F)c1.
What is the InChIKey of N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is NKVRIIMBLYNRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-7-8-15(11-16(13)18)21-17-6-4-3-5-14(17)12-19-9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107169953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).