5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline

C26H26Cl3NO2 — CID 126122245

IUPAC5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H26Cl3NO2/c1-4-6-19-11-18(15-30-24-14-22(28)9-7-17(24)3)12-25(31-5-2)26(19)32-16-20-8-10-21(27)13-23(20)29/h4,7-14,30H,1,5-6,15-16H2,2-3H3
InChIKeyJUPVZVQNSYXJTL-UHFFFAOYSA-N
MW490.86 g/mol
LogP8.27
Rot. Bonds10

About 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline

5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline (PubChem CID 126122245) has the molecular formula C26H26Cl3NO2 and a molecular weight of 490.86 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
PubChem CID126122245
Molecular FormulaC26H26Cl3NO2
Molecular Weight490.86 g/mol
Exact Mass489.10
IUPAC Name5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H26Cl3NO2/c1-4-6-19-11-18(15-30-24-14-22(28)9-7-17(24)3)12-25(31-5-2)26(19)32-16-20-8-10-21(27)13-23(20)29/h4,7-14,30H,1,5-6,15-16H2,2-3H3
InChIKeyJUPVZVQNSYXJTL-UHFFFAOYSA-N
XLogP8.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126127689
5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126115586
N-[(3,4-diethoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126116662
5-chloro-N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118360
[4-[(2,5-dimethylanilino)methyl]-2-ethoxy-6-prop-2-enylphenyl] 4-chlorobenzenesulfonate
CID 126128165
5-chloro-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126121963
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-4-ethoxyaniline
CID 126124704
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126122526
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-2-methylaniline
CID 126127342
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126115921
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126127578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline (CID 126122245) is 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline is C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The InChIKey is JUPVZVQNSYXJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl3NO2/c1-4-6-19-11-18(15-30-24-14-22(28)9-7-17(24)3)12-25(31-5-2)26(19)32-16-20-8-10-21(27)13-23(20)29/h4,7-14,30H,1,5-6,15-16H2,2-3H3.
What are the key properties of 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline has a molecular weight of 490.86 g/mol, XLogP of 8.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126122245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).