(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine

C15H20FN — CID 114227819

IUPAC(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
SMILESCc1cc(NC2/C=C\CCCCC2)ccc1F
InChIInChI=1S/C15H20FN/c1-12-11-14(9-10-15(12)16)17-13-7-5-3-2-4-6-8-13/h5,7,9-11,13,17H,2-4,6,8H2,1H3/b7-5-
InChIKeyNMODYRXLYWJROZ-ALCCZGGFSA-N
MW233.33 g/mol
LogP4.43
Rot. Bonds2

About (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine

(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine (PubChem CID 114227819) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
PubChem CID114227819
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
SMILESCc1cc(NC2/C=C\CCCCC2)ccc1F
InChIInChI=1S/C15H20FN/c1-12-11-14(9-10-15(12)16)17-13-7-5-3-2-4-6-8-13/h5,7,9-11,13,17H,2-4,6,8H2,1H3/b7-5-
InChIKeyNMODYRXLYWJROZ-ALCCZGGFSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine?
The IUPAC name of (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine (CID 114227819) is (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine.
What is the SMILES notation for (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine?
The canonical SMILES for (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine is Cc1cc(NC2/C=C\CCCCC2)ccc1F.
What is the InChIKey of (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine?
The InChIKey is NMODYRXLYWJROZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H20FN/c1-12-11-14(9-10-15(12)16)17-13-7-5-3-2-4-6-8-13/h5,7,9-11,13,17H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine?
(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine has a molecular weight of 233.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine is sourced from PubChem (CID 114227819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).