2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine

C26H27ClFNO2 — CID 162640338

IUPAC2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(/C(C)=C(\c2ccc(Cl)cc2)c2ccc(OCCN(C)C)cc2)cc1F
InChIInChI=1S/C26H27ClFNO2/c1-18(21-9-14-25(30-4)24(28)17-21)26(19-5-10-22(27)11-6-19)20-7-12-23(13-8-20)31-16-15-29(2)3/h5-14,17H,15-16H2,1-4H3/b26-18+
InChIKeyQVPUOLKDSYDKMO-NLRVBDNBSA-N
MW439.96 g/mol
LogP6.41
Rot. Bonds8

About 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine

2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 162640338) has the molecular formula C26H27ClFNO2 and a molecular weight of 439.96 g/mol. Its IUPAC name is 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID162640338
Molecular FormulaC26H27ClFNO2
Molecular Weight439.96 g/mol
Exact Mass439.17
IUPAC Name2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(/C(C)=C(\c2ccc(Cl)cc2)c2ccc(OCCN(C)C)cc2)cc1F
InChIInChI=1S/C26H27ClFNO2/c1-18(21-9-14-25(30-4)24(28)17-21)26(19-5-10-22(27)11-6-19)20-7-12-23(13-8-20)31-16-15-29(2)3/h5-14,17H,15-16H2,1-4H3/b26-18+
InChIKeyQVPUOLKDSYDKMO-NLRVBDNBSA-N
XLogP6.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine (CID 162640338) is 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine is COc1ccc(/C(C)=C(\c2ccc(Cl)cc2)c2ccc(OCCN(C)C)cc2)cc1F.
What is the InChIKey of 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is QVPUOLKDSYDKMO-NLRVBDNBSA-N. The full InChI is InChI=1S/C26H27ClFNO2/c1-18(21-9-14-25(30-4)24(28)17-21)26(19-5-10-22(27)11-6-19)20-7-12-23(13-8-20)31-16-15-29(2)3/h5-14,17H,15-16H2,1-4H3/b26-18+.
What are the key properties of 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 439.96 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 162640338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).