5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile

C15H21FN2O — CID 107701603

IUPAC5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
SMILESCCC(N)Cc1cc(F)ccc1OCCCCC#N
InChIInChI=1S/C15H21FN2O/c1-2-14(18)11-12-10-13(16)6-7-15(12)19-9-5-3-4-8-17/h6-7,10,14H,2-5,9,11,18H2,1H3
InChIKeyYQLAXASBNPFQGX-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.18
Rot. Bonds8

About 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile

5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile (PubChem CID 107701603) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile.

Molecular Properties

Compound Name5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
PubChem CID107701603
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
SMILESCCC(N)Cc1cc(F)ccc1OCCCCC#N
InChIInChI=1S/C15H21FN2O/c1-2-14(18)11-12-10-13(16)6-7-15(12)19-9-5-3-4-8-17/h6-7,10,14H,2-5,9,11,18H2,1H3
InChIKeyYQLAXASBNPFQGX-UHFFFAOYSA-N
XLogP3.18
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
5-[2-(chloromethyl)-4-fluorophenoxy]pentanenitrile
CID 107698739
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
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile?
The IUPAC name of 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile (CID 107701603) is 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile.
What is the SMILES notation for 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile?
The canonical SMILES for 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile is CCC(N)Cc1cc(F)ccc1OCCCCC#N.
What is the InChIKey of 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile?
The InChIKey is YQLAXASBNPFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-14(18)11-12-10-13(16)6-7-15(12)19-9-5-3-4-8-17/h6-7,10,14H,2-5,9,11,18H2,1H3.
What are the key properties of 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile?
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile has a molecular weight of 264.34 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile is sourced from PubChem (CID 107701603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).