1-(5-fluoro-2-heptoxyphenyl)butan-2-amine

C17H28FNO — CID 107701259

IUPAC1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
SMILESCCCCCCCOc1ccc(F)cc1CC(N)CC
InChIInChI=1S/C17H28FNO/c1-3-5-6-7-8-11-20-17-10-9-15(18)12-14(17)13-16(19)4-2/h9-10,12,16H,3-8,11,13,19H2,1-2H3
InChIKeyGILQHKBJRGECGH-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.45
Rot. Bonds10

About 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine

1-(5-fluoro-2-heptoxyphenyl)butan-2-amine (PubChem CID 107701259) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
PubChem CID107701259
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
SMILESCCCCCCCOc1ccc(F)cc1CC(N)CC
InChIInChI=1S/C17H28FNO/c1-3-5-6-7-8-11-20-17-10-9-15(18)12-14(17)13-16(19)4-2/h9-10,12,16H,3-8,11,13,19H2,1-2H3
InChIKeyGILQHKBJRGECGH-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
4-fluoro-2-octoxyaniline
CID 43128998

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine (CID 107701259) is 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine is CCCCCCCOc1ccc(F)cc1CC(N)CC.
What is the InChIKey of 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine?
The InChIKey is GILQHKBJRGECGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-3-5-6-7-8-11-20-17-10-9-15(18)12-14(17)13-16(19)4-2/h9-10,12,16H,3-8,11,13,19H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine?
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-heptoxyphenyl)butan-2-amine is sourced from PubChem (CID 107701259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).