3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine

C19H30FN — CID 43634781

IUPAC3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
SMILESCC(C)CCCCCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C19H30FN/c1-15(2)9-5-3-4-8-12-21-17-13-16(14-17)18-10-6-7-11-19(18)20/h6-7,10-11,15-17,21H,3-5,8-9,12-14H2,1-2H3
InChIKeyZPOIFBFRYYSYBA-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.27
Rot. Bonds9

About 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine

3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine (PubChem CID 43634781) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
PubChem CID43634781
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
SMILESCC(C)CCCCCCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C19H30FN/c1-15(2)9-5-3-4-8-12-21-17-13-16(14-17)18-10-6-7-11-19(18)20/h6-7,10-11,15-17,21H,3-5,8-9,12-14H2,1-2H3
InChIKeyZPOIFBFRYYSYBA-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66181283
N-(2-ethylhexyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43634228
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine (CID 43634781) is 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine is CC(C)CCCCCCNC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The InChIKey is ZPOIFBFRYYSYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-15(2)9-5-3-4-8-12-21-17-13-16(14-17)18-10-6-7-11-19(18)20/h6-7,10-11,15-17,21H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine is sourced from PubChem (CID 43634781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).