3-(4-phenoxybutoxy)propan-1-amine

C13H21NO2 — CID 82352658

IUPAC3-(4-phenoxybutoxy)propan-1-amine
SMILESNCCCOCCCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c14-9-6-11-15-10-4-5-12-16-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,14H2
InChIKeyVXBUURIBGRLZIM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds9

About 3-(4-phenoxybutoxy)propan-1-amine

3-(4-phenoxybutoxy)propan-1-amine (PubChem CID 82352658) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-phenoxybutoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4-phenoxybutoxy)propan-1-amine
PubChem CID82352658
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(4-phenoxybutoxy)propan-1-amine
SMILESNCCCOCCCCOc1ccccc1
InChIInChI=1S/C13H21NO2/c14-9-6-11-15-10-4-5-12-16-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,14H2
InChIKeyVXBUURIBGRLZIM-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
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

5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxybutoxy)propan-1-amine?
The IUPAC name of 3-(4-phenoxybutoxy)propan-1-amine (CID 82352658) is 3-(4-phenoxybutoxy)propan-1-amine.
What is the SMILES notation for 3-(4-phenoxybutoxy)propan-1-amine?
The canonical SMILES for 3-(4-phenoxybutoxy)propan-1-amine is NCCCOCCCCOc1ccccc1.
What is the InChIKey of 3-(4-phenoxybutoxy)propan-1-amine?
The InChIKey is VXBUURIBGRLZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c14-9-6-11-15-10-4-5-12-16-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,14H2.
What are the key properties of 3-(4-phenoxybutoxy)propan-1-amine?
3-(4-phenoxybutoxy)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxybutoxy)propan-1-amine is sourced from PubChem (CID 82352658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).