1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine

C25H26FNO2 — CID 69080169

IUPAC1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine
SMILESCOc1cc(F)cc(OC)c1C(N)CC=CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H26FNO2/c1-28-23-16-21(26)17-24(29-2)25(23)22(27)14-7-6-9-18-10-8-13-20(15-18)19-11-4-3-5-12-19/h3-8,10-13,15-17,22H,9,14,27H2,1-2H3
InChIKeyNNDUXBQRUVMBRL-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.70
Rot. Bonds8

About 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine

1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine (PubChem CID 69080169) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine
PubChem CID69080169
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine
SMILESCOc1cc(F)cc(OC)c1C(N)CC=CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H26FNO2/c1-28-23-16-21(26)17-24(29-2)25(23)22(27)14-7-6-9-18-10-8-13-20(15-18)19-11-4-3-5-12-19/h3-8,10-13,15-17,22H,9,14,27H2,1-2H3
InChIKeyNNDUXBQRUVMBRL-UHFFFAOYSA-N
XLogP5.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine (CID 69080169) is 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine is COc1cc(F)cc(OC)c1C(N)CC=CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine?
The InChIKey is NNDUXBQRUVMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-28-23-16-21(26)17-24(29-2)25(23)22(27)14-7-6-9-18-10-8-13-20(15-18)19-11-4-3-5-12-19/h3-8,10-13,15-17,22H,9,14,27H2,1-2H3.
What are the key properties of 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine?
1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine has a molecular weight of 391.49 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethoxyphenyl)-5-(3-phenylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 69080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).