N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine

C17H20FNO2 — CID 43283304

IUPACN-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2OC)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-10-19-12-13-8-9-15(14(18)11-13)21-17-7-5-4-6-16(17)20-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyXWSTZWHWQBJLPO-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.13
Rot. Bonds7

About N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine

N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine (PubChem CID 43283304) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
PubChem CID43283304
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2OC)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-10-19-12-13-8-9-15(14(18)11-13)21-17-7-5-4-6-16(17)20-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyXWSTZWHWQBJLPO-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
N-[[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 107285167
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine (CID 43283304) is N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccccc2OC)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XWSTZWHWQBJLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-10-19-12-13-8-9-15(14(18)11-13)21-17-7-5-4-6-16(17)20-2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43283304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).