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

C15H24FNO — CID 103283997

IUPAC1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
SMILESCCCC(C)COc1cccc(F)c1C(C)NC
InChIInChI=1S/C15H24FNO/c1-5-7-11(2)10-18-14-9-6-8-13(16)15(14)12(3)17-4/h6,8-9,11-12,17H,5,7,10H2,1-4H3
InChIKeyHMXAPUNFBYGUSC-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds7

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

1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine (PubChem CID 103283997) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
PubChem CID103283997
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
SMILESCCCC(C)COc1cccc(F)c1C(C)NC
InChIInChI=1S/C15H24FNO/c1-5-7-11(2)10-18-14-9-6-8-13(16)15(14)12(3)17-4/h6,8-9,11-12,17H,5,7,10H2,1-4H3
InChIKeyHMXAPUNFBYGUSC-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[3-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 114058958
1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 55147255
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
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
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine (CID 103283997) is 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine is CCCC(C)COc1cccc(F)c1C(C)NC.
What is the InChIKey of 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine?
The InChIKey is HMXAPUNFBYGUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-7-11(2)10-18-14-9-6-8-13(16)15(14)12(3)17-4/h6,8-9,11-12,17H,5,7,10H2,1-4H3.
What are the key properties of 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 103283997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).