1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine

C12H15BrFNO — CID 83228518

IUPAC1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1cc(CNOC2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-6-5-9(7-12(11)14)8-15-16-10-3-1-2-4-10/h5-7,10,15H,1-4,8H2
InChIKeyAJBSNZKQXGRNGV-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine

1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine (PubChem CID 83228518) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine
PubChem CID83228518
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine
SMILESFc1cc(CNOC2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-6-5-9(7-12(11)14)8-15-16-10-3-1-2-4-10/h5-7,10,15H,1-4,8H2
InChIKeyAJBSNZKQXGRNGV-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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Related Compounds

CID 21947562
CID 21947562
CID 58343816
CID 58343816
CID 60711881
CID 60711881
CID 91019015
CID 91019015
CID 91287687
CID 91287687
CID 118361791
CID 118361791
CID 172771407
CID 172771407
CID 163358813
CID 163358813
CID 60702464
CID 60702464
CID 60702615
CID 60702615
CID 60711883
CID 60711883
CID 61068149
CID 61068149

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine (CID 83228518) is 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine is Fc1cc(CNOC2CCCC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine?
The InChIKey is AJBSNZKQXGRNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-6-5-9(7-12(11)14)8-15-16-10-3-1-2-4-10/h5-7,10,15H,1-4,8H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine?
1-(4-bromo-3-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-3-fluorophenyl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 83228518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).