2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline

C16H22ClNO2 — CID 163563816

IUPAC2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline
SMILESCNc1cc(C/C(C)=C/C=C/COC)cc(OC)c1Cl
InChIInChI=1S/C16H22ClNO2/c1-12(7-5-6-8-19-3)9-13-10-14(18-2)16(17)15(11-13)20-4/h5-7,10-11,18H,8-9H2,1-4H3/b6-5+,12-7+
InChIKeyFTMJJFUTEJDDGV-DVIJZSFDSA-N
MW295.81 g/mol
LogP4.08
Rot. Bonds7

About 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline

2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline (PubChem CID 163563816) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline.

Molecular Properties

Compound Name2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline
PubChem CID163563816
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline
SMILESCNc1cc(C/C(C)=C/C=C/COC)cc(OC)c1Cl
InChIInChI=1S/C16H22ClNO2/c1-12(7-5-6-8-19-3)9-13-10-14(18-2)16(17)15(11-13)20-4/h5-7,10-11,18H,8-9H2,1-4H3/b6-5+,12-7+
InChIKeyFTMJJFUTEJDDGV-DVIJZSFDSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline 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-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline?
The IUPAC name of 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline (CID 163563816) is 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline.
What is the SMILES notation for 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline?
The canonical SMILES for 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline is CNc1cc(C/C(C)=C/C=C/COC)cc(OC)c1Cl.
What is the InChIKey of 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline?
The InChIKey is FTMJJFUTEJDDGV-DVIJZSFDSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(7-5-6-8-19-3)9-13-10-14(18-2)16(17)15(11-13)20-4/h5-7,10-11,18H,8-9H2,1-4H3/b6-5+,12-7+.
What are the key properties of 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline?
2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline has a molecular weight of 295.81 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline is sourced from PubChem (CID 163563816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).