1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine

C17H24FN — CID 65006915

IUPAC1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2ccccc2F)CC2(CCCCC2)C1
InChIInChI=1S/C17H24FN/c1-19-13-17(14-7-3-4-8-15(14)18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-13H2,1H3
InChIKeyPKDUKAUHUIISJA-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.03
Rot. Bonds3

About 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine

1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine (PubChem CID 65006915) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
PubChem CID65006915
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2ccccc2F)CC2(CCCCC2)C1
InChIInChI=1S/C17H24FN/c1-19-13-17(14-7-3-4-8-15(14)18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-13H2,1H3
InChIKeyPKDUKAUHUIISJA-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine (CID 65006915) is 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine is CNCC1(c2ccccc2F)CC2(CCCCC2)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine?
The InChIKey is PKDUKAUHUIISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-19-13-17(14-7-3-4-8-15(14)18)11-16(12-17)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine has a molecular weight of 261.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65006915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).