N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine

C12H15FN2O3 — CID 83235189

IUPACN-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine
SMILESO=[N+]([O-])c1ccc(CNOC2CCCC2)cc1F
InChIInChI=1S/C12H15FN2O3/c13-11-7-9(5-6-12(11)15(16)17)8-14-18-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyCTZZGXCAYYYQDI-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.70
Rot. Bonds5

About N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine

N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine (PubChem CID 83235189) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine
PubChem CID83235189
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine
SMILESO=[N+]([O-])c1ccc(CNOC2CCCC2)cc1F
InChIInChI=1S/C12H15FN2O3/c13-11-7-9(5-6-12(11)15(16)17)8-14-18-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyCTZZGXCAYYYQDI-UHFFFAOYSA-N
XLogP2.70
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine (CID 83235189) is N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine is O=[N+]([O-])c1ccc(CNOC2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine?
The InChIKey is CTZZGXCAYYYQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-11-7-9(5-6-12(11)15(16)17)8-14-18-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2.
What are the key properties of N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine?
N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine has a molecular weight of 254.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(3-fluoro-4-nitrophenyl)methanamine is sourced from PubChem (CID 83235189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).