4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine

C15H23NO — CID 113230930

IUPAC4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
SMILESCOCCCC(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H23NO/c1-17-12-5-9-14(16)15(10-6-11-15)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3
InChIKeyAODXVLZDEUZXJE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds6

About 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine

4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine (PubChem CID 113230930) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
PubChem CID113230930
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
SMILESCOCCCC(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H23NO/c1-17-12-5-9-14(16)15(10-6-11-15)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3
InChIKeyAODXVLZDEUZXJE-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine?
The IUPAC name of 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine (CID 113230930) is 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine is COCCCC(N)C1(c2ccccc2)CCC1.
What is the InChIKey of 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine?
The InChIKey is AODXVLZDEUZXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-12-5-9-14(16)15(10-6-11-15)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3.
What are the key properties of 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine?
4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine is sourced from PubChem (CID 113230930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).