3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline

C23H23Cl2NO2 — CID 126125649

IUPAC3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
SMILESCCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C23H23Cl2NO2/c1-3-27-23-13-17(14-26-21-10-6-9-19(24)16(21)2)11-12-22(23)28-15-18-7-4-5-8-20(18)25/h4-13,26H,3,14-15H2,1-2H3
InChIKeyTUFNKGWRRAPFSF-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.89
Rot. Bonds8

About 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline

3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline (PubChem CID 126125649) has the molecular formula C23H23Cl2NO2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
PubChem CID126125649
Molecular FormulaC23H23Cl2NO2
Molecular Weight416.35 g/mol
Exact Mass415.11
IUPAC Name3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
SMILESCCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C23H23Cl2NO2/c1-3-27-23-13-17(14-26-21-10-6-9-19(24)16(21)2)11-12-22(23)28-15-18-7-4-5-8-20(18)25/h4-13,26H,3,14-15H2,1-2H3
InChIKeyTUFNKGWRRAPFSF-UHFFFAOYSA-N
XLogP6.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118405
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126116219
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727588
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-2-methylaniline
CID 126127342
3-chloro-N-[(3-chloro-4-propoxyphenyl)methyl]-2-methylaniline
CID 126144223
2-[3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propylamino]ethanol
CID 17214095
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline (CID 126125649) is 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline is CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline?
The InChIKey is TUFNKGWRRAPFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO2/c1-3-27-23-13-17(14-26-21-10-6-9-19(24)16(21)2)11-12-22(23)28-15-18-7-4-5-8-20(18)25/h4-13,26H,3,14-15H2,1-2H3.
What are the key properties of 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline?
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline has a molecular weight of 416.35 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126125649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).