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

C24H24Cl3NO3 — CID 126127578

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C24H24Cl3NO3/c1-3-29-20-9-7-19(8-10-20)28-14-16-11-22(27)24(23(12-16)30-4-2)31-15-17-5-6-18(25)13-21(17)26/h5-13,28H,3-4,14-15H2,1-2H3
InChIKeyUGQFGTMYVPIMGZ-UHFFFAOYSA-N
MW480.82 g/mol
LogP7.64
Rot. Bonds10

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

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline (PubChem CID 126127578) has the molecular formula C24H24Cl3NO3 and a molecular weight of 480.82 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
PubChem CID126127578
Molecular FormulaC24H24Cl3NO3
Molecular Weight480.82 g/mol
Exact Mass479.08
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C24H24Cl3NO3/c1-3-29-20-9-7-19(8-10-20)28-14-16-11-22(27)24(23(12-16)30-4-2)31-15-17-5-6-18(25)13-21(17)26/h5-13,28H,3-4,14-15H2,1-2H3
InChIKeyUGQFGTMYVPIMGZ-UHFFFAOYSA-N
XLogP7.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 126183262
N'-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215530
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
N-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126116346
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-4-ethoxyaniline
CID 126124704
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
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
2-chloro-6-ethoxy-4-[(4-ethoxyanilino)methyl]phenol
CID 83455060

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline (CID 126127578) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline is CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline?
The InChIKey is UGQFGTMYVPIMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3NO3/c1-3-29-20-9-7-19(8-10-20)28-14-16-11-22(27)24(23(12-16)30-4-2)31-15-17-5-6-18(25)13-21(17)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-ethoxyaniline?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline has a molecular weight of 480.82 g/mol, XLogP of 7.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline is sourced from PubChem (CID 126127578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).