N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine

C17H26FNO — CID 65013702

IUPACN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCCCC1CC(CNCCOC)(c2ccccc2F)C1
InChIInChI=1S/C17H26FNO/c1-3-6-14-11-17(12-14,13-19-9-10-20-2)15-7-4-5-8-16(15)18/h4-5,7-8,14,19H,3,6,9-13H2,1-2H3
InChIKeySRZCCZFPKWUNSD-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.51
Rot. Bonds8

About N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65013702) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65013702
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCCCC1CC(CNCCOC)(c2ccccc2F)C1
InChIInChI=1S/C17H26FNO/c1-3-6-14-11-17(12-14,13-19-9-10-20-2)15-7-4-5-8-16(15)18/h4-5,7-8,14,19H,3,6,9-13H2,1-2H3
InChIKeySRZCCZFPKWUNSD-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.51
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-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine (CID 65013702) is N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine is CCCC1CC(CNCCOC)(c2ccccc2F)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is SRZCCZFPKWUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-6-14-11-17(12-14,13-19-9-10-20-2)15-7-4-5-8-16(15)18/h4-5,7-8,14,19H,3,6,9-13H2,1-2H3.
What are the key properties of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65013702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).