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

C25H25Cl2NO2 — CID 126115586

IUPAC5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C25H25Cl2NO2/c1-4-7-19-12-18(15-28-23-14-21(26)11-10-17(23)2)13-24(29-3)25(19)30-16-20-8-5-6-9-22(20)27/h4-6,8-14,28H,1,7,15-16H2,2-3H3
InChIKeyAQXATFDOSORXRN-UHFFFAOYSA-N
MW442.39 g/mol
LogP7.23
Rot. Bonds9

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

5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline (PubChem CID 126115586) has the molecular formula C25H25Cl2NO2 and a molecular weight of 442.39 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
PubChem CID126115586
Molecular FormulaC25H25Cl2NO2
Molecular Weight442.39 g/mol
Exact Mass441.13
IUPAC Name5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
SMILESC=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C25H25Cl2NO2/c1-4-7-19-12-18(15-28-23-14-21(26)11-10-17(23)2)13-24(29-3)25(19)30-16-20-8-5-6-9-22(20)27/h4-6,8-14,28H,1,7,15-16H2,2-3H3
InChIKeyAQXATFDOSORXRN-UHFFFAOYSA-N
XLogP7.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 57.23
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

3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-methylaniline
CID 126118020
5-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126122245
5-chloro-N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126127689
5-chloro-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methyl]-2-methylaniline
CID 126121963
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-ethylaniline
CID 126125791
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-methylaniline
CID 2197765
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-3-chloro-2-methylaniline
CID 126141196
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 126117954
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-4-ethoxyaniline
CID 126124704
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126116588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline (CID 126115586) is 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline is C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
The InChIKey is AQXATFDOSORXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO2/c1-4-7-19-12-18(15-28-23-14-21(26)11-10-17(23)2)13-24(29-3)25(19)30-16-20-8-5-6-9-22(20)27/h4-6,8-14,28H,1,7,15-16H2,2-3H3.
What are the key properties of 5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline?
5-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline has a molecular weight of 442.39 g/mol, XLogP of 7.23, 9 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-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126115586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).