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

C15H24FNO — CID 55147255

IUPAC1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
SMILESCCCC(C)COc1cc(F)ccc1C(C)NC
InChIInChI=1S/C15H24FNO/c1-5-6-11(2)10-18-15-9-13(16)7-8-14(15)12(3)17-4/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyINJVIIIVVYJVBL-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds7

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

1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine (PubChem CID 55147255) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
PubChem CID55147255
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
SMILESCCCC(C)COc1cc(F)ccc1C(C)NC
InChIInChI=1S/C15H24FNO/c1-5-6-11(2)10-18-15-9-13(16)7-8-14(15)12(3)17-4/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyINJVIIIVVYJVBL-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

N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[3-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 114058958
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine (CID 55147255) is 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine is CCCC(C)COc1cc(F)ccc1C(C)NC.
What is the InChIKey of 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine?
The InChIKey is INJVIIIVVYJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-6-11(2)10-18-15-9-13(16)7-8-14(15)12(3)17-4/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine?
1-[4-fluoro-2-(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-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 55147255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).