N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine

C17H24FNO — CID 102952301

IUPACN-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine
SMILESCCOc1ccc(NC2CCC23CCCCC3)cc1F
InChIInChI=1S/C17H24FNO/c1-2-20-15-7-6-13(12-14(15)18)19-16-8-11-17(16)9-4-3-5-10-17/h6-7,12,16,19H,2-5,8-11H2,1H3
InChIKeyNCRZBOVAVGMEHZ-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.75
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine

N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine (PubChem CID 102952301) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine
PubChem CID102952301
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine
SMILESCCOc1ccc(NC2CCC23CCCCC3)cc1F
InChIInChI=1S/C17H24FNO/c1-2-20-15-7-6-13(12-14(15)18)19-16-8-11-17(16)9-4-3-5-10-17/h6-7,12,16,19H,2-5,8-11H2,1H3
InChIKeyNCRZBOVAVGMEHZ-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine (CID 102952301) is N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine is CCOc1ccc(NC2CCC23CCCCC3)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine?
The InChIKey is NCRZBOVAVGMEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-20-15-7-6-13(12-14(15)18)19-16-8-11-17(16)9-4-3-5-10-17/h6-7,12,16,19H,2-5,8-11H2,1H3.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine?
N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine has a molecular weight of 277.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).