1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine

C17H26FNO — CID 19823776

IUPAC1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCC(N(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H26FNO/c1-19(2)16(10-6-13-20-3)17(11-7-12-17)14-8-4-5-9-15(14)18/h4-5,8-9,16H,6-7,10-13H2,1-3H3
InChIKeyBJZMPZFVYMSCBX-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds7

About 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine

1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine (PubChem CID 19823776) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
PubChem CID19823776
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCC(N(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C17H26FNO/c1-19(2)16(10-6-13-20-3)17(11-7-12-17)14-8-4-5-9-15(14)18/h4-5,8-9,16H,6-7,10-13H2,1-3H3
InChIKeyBJZMPZFVYMSCBX-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
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 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine (CID 19823776) is 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine is COCCCC(N(C)C)C1(c2ccccc2F)CCC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
The InChIKey is BJZMPZFVYMSCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-19(2)16(10-6-13-20-3)17(11-7-12-17)14-8-4-5-9-15(14)18/h4-5,8-9,16H,6-7,10-13H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine?
1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 19823776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).