N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine

C16H24FNO2 — CID 114348893

IUPACN-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2C)CCOC1
InChIInChI=1S/C16H24FNO2/c1-13-9-15(17)4-3-14(13)10-16(5-7-20-12-16)11-18-6-8-19-2/h3-4,9,18H,5-8,10-12H2,1-2H3
InChIKeyGYAJTBCVFWTHAO-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.32
Rot. Bonds7

About N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 114348893) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID114348893
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2C)CCOC1
InChIInChI=1S/C16H24FNO2/c1-13-9-15(17)4-3-14(13)10-16(5-7-20-12-16)11-18-6-8-19-2/h3-4,9,18H,5-8,10-12H2,1-2H3
InChIKeyGYAJTBCVFWTHAO-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.32
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-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 62718375
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine (CID 114348893) is N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2ccc(F)cc2C)CCOC1.
What is the InChIKey of N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is GYAJTBCVFWTHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-13-9-15(17)4-3-14(13)10-16(5-7-20-12-16)11-18-6-8-19-2/h3-4,9,18H,5-8,10-12H2,1-2H3.
What are the key properties of N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114348893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).