(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

C18H26FN — CID 164622454

IUPAC(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCc1ccc(F)cc1
InChIInChI=1S/C18H26FN/c1-15(2)5-4-6-16(3)11-13-20-14-12-17-7-9-18(19)10-8-17/h5,7-11,20H,4,6,12-14H2,1-3H3/b16-11+
InChIKeyMOVCVFYFXHFQIM-LFIBNONCSA-N
MW275.41 g/mol
LogP4.65
Rot. Bonds8

About (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 164622454) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID164622454
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCc1ccc(F)cc1
InChIInChI=1S/C18H26FN/c1-15(2)5-4-6-16(3)11-13-20-14-12-17-7-9-18(19)10-8-17/h5,7-11,20H,4,6,12-14H2,1-3H3/b16-11+
InChIKeyMOVCVFYFXHFQIM-LFIBNONCSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 164622454) is (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CNCCc1ccc(F)cc1.
What is the InChIKey of (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is MOVCVFYFXHFQIM-LFIBNONCSA-N. The full InChI is InChI=1S/C18H26FN/c1-15(2)5-4-6-16(3)11-13-20-14-12-17-7-9-18(19)10-8-17/h5,7-11,20H,4,6,12-14H2,1-3H3/b16-11+.
What are the key properties of (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 275.41 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(4-fluorophenyl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 164622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).