1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine

C13H19NO2 — CID 117316587

IUPAC1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
SMILESCOCCOc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-9-10-16-12-5-3-11(4-6-12)13(14)7-2-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyZPRNHLMCJOTLLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine

1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine (PubChem CID 117316587) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
PubChem CID117316587
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
SMILESCOCCOc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-9-10-16-12-5-3-11(4-6-12)13(14)7-2-8-13/h3-6H,2,7-10,14H2,1H3
InChIKeyZPRNHLMCJOTLLO-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine (CID 117316587) is 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine is COCCOc1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is ZPRNHLMCJOTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-10-16-12-5-3-11(4-6-12)13(14)7-2-8-13/h3-6H,2,7-10,14H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine?
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117316587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).