1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine

C16H26FNO3 — CID 107701721

IUPAC1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCCOCCOC
InChIInChI=1S/C16H26FNO3/c1-3-15(18)12-13-11-14(17)5-6-16(13)21-8-4-7-20-10-9-19-2/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3
InChIKeyAVPKEUWRFOUKDR-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.54
Rot. Bonds11

About 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine

1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine (PubChem CID 107701721) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
PubChem CID107701721
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCCCOCCOC
InChIInChI=1S/C16H26FNO3/c1-3-15(18)12-13-11-14(17)5-6-16(13)21-8-4-7-20-10-9-19-2/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3
InChIKeyAVPKEUWRFOUKDR-UHFFFAOYSA-N
XLogP2.54
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine (CID 107701721) is 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCCCOCCOC.
What is the InChIKey of 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
The InChIKey is AVPKEUWRFOUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-3-15(18)12-13-11-14(17)5-6-16(13)21-8-4-7-20-10-9-19-2/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine?
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine has a molecular weight of 299.39 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine is sourced from PubChem (CID 107701721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).