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

C15H22FNO3 — CID 107689071

IUPACN-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCCOC2)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-18-8-6-17-10-12-4-5-15(14(16)9-12)20-13-3-2-7-19-11-13/h4-5,9,13,17H,2-3,6-8,10-11H2,1H3
InChIKeyLOJOGBKMBFEWGS-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.12
Rot. Bonds7

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

N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 107689071) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID107689071
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCCOC2)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-18-8-6-17-10-12-4-5-15(14(16)9-12)20-13-3-2-7-19-11-13/h4-5,9,13,17H,2-3,6-8,10-11H2,1H3
InChIKeyLOJOGBKMBFEWGS-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 107689221
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine
CID 63058395
N-[[5-bromo-3-methyl-2-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107134537
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63556348
2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 63556774
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine (CID 107689071) is N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OC2CCCOC2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is LOJOGBKMBFEWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-18-8-6-17-10-12-4-5-15(14(16)9-12)20-13-3-2-7-19-11-13/h4-5,9,13,17H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 283.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107689071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).