1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine

C14H22FNO — CID 43285076

IUPAC1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OCCC(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)8-9-17-13-7-5-6-12(15)14(13)11(3)16-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyAMZFDARQWWMEOD-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine

1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine (PubChem CID 43285076) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
PubChem CID43285076
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OCCC(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)8-9-17-13-7-5-6-12(15)14(13)11(3)16-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyAMZFDARQWWMEOD-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine (CID 43285076) is 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1OCCC(C)C.
What is the InChIKey of 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine?
The InChIKey is AMZFDARQWWMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)8-9-17-13-7-5-6-12(15)14(13)11(3)16-4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).