N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine

C13H20FNO2 — CID 80698832

IUPACN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCCF
InChIInChI=1S/C13H20FNO2/c1-3-7-15-10-11-9-12(16-2)4-5-13(11)17-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3
InChIKeyLMMQATGRVSGZPM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.54
Rot. Bonds8

About N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine

N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine (PubChem CID 80698832) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
PubChem CID80698832
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCCF
InChIInChI=1S/C13H20FNO2/c1-3-7-15-10-11-9-12(16-2)4-5-13(11)17-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3
InChIKeyLMMQATGRVSGZPM-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.54
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-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
N-[(5-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804351
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491744
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine (CID 80698832) is N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine is CCCNCc1cc(OC)ccc1OCCF.
What is the InChIKey of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is LMMQATGRVSGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-7-15-10-11-9-12(16-2)4-5-13(11)17-8-6-14/h4-5,9,15H,3,6-8,10H2,1-2H3.
What are the key properties of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 80698832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).