N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine

C15H22FNO — CID 103273634

IUPACN-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2ccc(F)cc2)CCC1
InChIInChI=1S/C15H22FNO/c1-2-11-17-12-10-15(8-3-9-15)18-14-6-4-13(16)5-7-14/h4-7,17H,2-3,8-12H2,1H3
InChIKeyWMKJCXDCHXBPRQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273634) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273634
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2ccc(F)cc2)CCC1
InChIInChI=1S/C15H22FNO/c1-2-11-17-12-10-15(8-3-9-15)18-14-6-4-13(16)5-7-14/h4-7,17H,2-3,8-12H2,1H3
InChIKeyWMKJCXDCHXBPRQ-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.52
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 N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273634) is N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2ccc(F)cc2)CCC1.
What is the InChIKey of N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is WMKJCXDCHXBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-11-17-12-10-15(8-3-9-15)18-14-6-4-13(16)5-7-14/h4-7,17H,2-3,8-12H2,1H3.
What are the key properties of N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).