N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline

C24H24Cl3NO2 — CID 126123231

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
SMILESCCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H24Cl3NO2/c1-3-16-5-9-20(10-6-16)28-14-17-11-22(27)24(23(12-17)29-4-2)30-15-18-7-8-19(25)13-21(18)26/h5-13,28H,3-4,14-15H2,1-2H3
InChIKeyMKQWGQHHTNCOCH-UHFFFAOYSA-N
MW464.82 g/mol
LogP7.80
Rot. Bonds9

About N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline (PubChem CID 126123231) has the molecular formula C24H24Cl3NO2 and a molecular weight of 464.82 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
PubChem CID126123231
Molecular FormulaC24H24Cl3NO2
Molecular Weight464.82 g/mol
Exact Mass463.09
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
SMILESCCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H24Cl3NO2/c1-3-16-5-9-20(10-6-16)28-14-17-11-22(27)24(23(12-17)29-4-2)30-15-18-7-8-19(25)13-21(18)26/h5-13,28H,3-4,14-15H2,1-2H3
InChIKeyMKQWGQHHTNCOCH-UHFFFAOYSA-N
XLogP7.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126127578
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 126183262
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylaniline
CID 126116089
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126127915
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
4-[[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 4720800
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
CID 4715538
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-3-methylaniline
CID 126127015
5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-2-chlorobenzoic acid
CID 17059345
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methyl]-4-methylaniline
CID 126120752

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline (CID 126123231) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline is CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline?
The InChIKey is MKQWGQHHTNCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3NO2/c1-3-16-5-9-20(10-6-16)28-14-17-11-22(27)24(23(12-17)29-4-2)30-15-18-7-8-19(25)13-21(18)26/h5-13,28H,3-4,14-15H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline has a molecular weight of 464.82 g/mol, XLogP of 7.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline is sourced from PubChem (CID 126123231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).