1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine

C12H15BrFNO — CID 83229367

IUPAC1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1cc(Br)ccc1CNOC1CCCC1
InChIInChI=1S/C12H15BrFNO/c13-10-6-5-9(12(14)7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyWIGDHTJQNRQCJQ-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine

1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine (PubChem CID 83229367) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine
PubChem CID83229367
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1cc(Br)ccc1CNOC1CCCC1
InChIInChI=1S/C12H15BrFNO/c13-10-6-5-9(12(14)7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyWIGDHTJQNRQCJQ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.55
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-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine (CID 83229367) is 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine is Fc1cc(Br)ccc1CNOC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine?
The InChIKey is WIGDHTJQNRQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-6-5-9(12(14)7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine?
1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine has a molecular weight of 288.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 83229367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).