[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine

C14H20FN — CID 65013748

IUPAC[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1CC(CN)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-2-3-11-8-14(9-11,10-16)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3
InChIKeyXXADPLDQGMSWLJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.23
Rot. Bonds4

About [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine

[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine (PubChem CID 65013748) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine
PubChem CID65013748
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1CC(CN)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-2-3-11-8-14(9-11,10-16)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3
InChIKeyXXADPLDQGMSWLJ-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine (CID 65013748) is [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine is CCCC1CC(CN)(c2ccc(F)cc2)C1.
What is the InChIKey of [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine?
The InChIKey is XXADPLDQGMSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-3-11-8-14(9-11,10-16)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine?
[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine is sourced from PubChem (CID 65013748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).