1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine

C12H15ClFNO — CID 114487676

IUPAC1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1c(Cl)cccc1CNOC1CCCC1
InChIInChI=1S/C12H15ClFNO/c13-11-7-3-4-9(12(11)14)8-15-16-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyOELNWQFIIYEMQJ-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine

1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine (PubChem CID 114487676) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine
PubChem CID114487676
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1c(Cl)cccc1CNOC1CCCC1
InChIInChI=1S/C12H15ClFNO/c13-11-7-3-4-9(12(11)14)8-15-16-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyOELNWQFIIYEMQJ-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine (CID 114487676) is 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine is Fc1c(Cl)cccc1CNOC1CCCC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The InChIKey is OELNWQFIIYEMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-7-3-4-9(12(11)14)8-15-16-10-5-1-2-6-10/h3-4,7,10,15H,1-2,5-6,8H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine?
1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine has a molecular weight of 243.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 114487676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).