N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine

C12H18FNO2 — CID 107695941

IUPACN-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCOC
InChIInChI=1S/C12H18FNO2/c1-3-6-14-8-10-7-11(13)4-5-12(10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3
InChIKeyHWFMPEMFOWIBPA-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.31
Rot. Bonds7

About N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine

N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine (PubChem CID 107695941) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
PubChem CID107695941
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCOC
InChIInChI=1S/C12H18FNO2/c1-3-6-14-8-10-7-11(13)4-5-12(10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3
InChIKeyHWFMPEMFOWIBPA-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine (CID 107695941) is N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OCOC.
What is the InChIKey of N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is HWFMPEMFOWIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-6-14-8-10-7-11(13)4-5-12(10)16-9-15-2/h4-5,7,14H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine?
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).