1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine

C14H22FNO2 — CID 107716952

IUPAC1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCCCOC)cc1F
InChIInChI=1S/C14H22FNO2/c1-11(16-2)13-7-6-12(10-14(13)15)18-9-5-4-8-17-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyRWSVDQYNIDZRAF-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds8

About 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine

1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine (PubChem CID 107716952) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
PubChem CID107716952
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCCCOC)cc1F
InChIInChI=1S/C14H22FNO2/c1-11(16-2)13-7-6-12(10-14(13)15)18-9-5-4-8-17-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyRWSVDQYNIDZRAF-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
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

1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
1-[2-fluoro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 107716449
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine (CID 107716952) is 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCCCOC)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine?
The InChIKey is RWSVDQYNIDZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(16-2)13-7-6-12(10-14(13)15)18-9-5-4-8-17-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine?
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 107716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).