5-(4-phenoxybutoxy)pentan-1-amine

C15H25NO2 — CID 82352887

IUPAC5-(4-phenoxybutoxy)pentan-1-amine
SMILESNCCCCCOCCCCOc1ccccc1
InChIInChI=1S/C15H25NO2/c16-11-5-2-6-12-17-13-7-8-14-18-15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14,16H2
InChIKeyPPQYLGLUWSXGGV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds11

About 5-(4-phenoxybutoxy)pentan-1-amine

5-(4-phenoxybutoxy)pentan-1-amine (PubChem CID 82352887) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(4-phenoxybutoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(4-phenoxybutoxy)pentan-1-amine
PubChem CID82352887
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(4-phenoxybutoxy)pentan-1-amine
SMILESNCCCCCOCCCCOc1ccccc1
InChIInChI=1S/C15H25NO2/c16-11-5-2-6-12-17-13-7-8-14-18-15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14,16H2
InChIKeyPPQYLGLUWSXGGV-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
2-pentoxyethoxybenzene
CID 54431229
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxybutoxy)pentan-1-amine?
The IUPAC name of 5-(4-phenoxybutoxy)pentan-1-amine (CID 82352887) is 5-(4-phenoxybutoxy)pentan-1-amine.
What is the SMILES notation for 5-(4-phenoxybutoxy)pentan-1-amine?
The canonical SMILES for 5-(4-phenoxybutoxy)pentan-1-amine is NCCCCCOCCCCOc1ccccc1.
What is the InChIKey of 5-(4-phenoxybutoxy)pentan-1-amine?
The InChIKey is PPQYLGLUWSXGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c16-11-5-2-6-12-17-13-7-8-14-18-15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14,16H2.
What are the key properties of 5-(4-phenoxybutoxy)pentan-1-amine?
5-(4-phenoxybutoxy)pentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxybutoxy)pentan-1-amine is sourced from PubChem (CID 82352887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).