N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline

C17H19Cl2NO — CID 63451092

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC(C)c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-4-21-14-6-8-17(11(2)9-14)20-12(3)15-7-5-13(18)10-16(15)19/h5-10,12,20H,4H2,1-3H3
InChIKeySCNOXZBLIDVRBP-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.87
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline

N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline (PubChem CID 63451092) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
PubChem CID63451092
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC(C)c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-4-21-14-6-8-17(11(2)9-14)20-12(3)15-7-5-13(18)10-16(15)19/h5-10,12,20H,4H2,1-3H3
InChIKeySCNOXZBLIDVRBP-UHFFFAOYSA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451223
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
3-N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxybenzene-1,3-diamine
CID 80726509
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408
N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline (CID 63451092) is N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline is CCOc1ccc(NC(C)c2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline?
The InChIKey is SCNOXZBLIDVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-4-21-14-6-8-17(11(2)9-14)20-12(3)15-7-5-13(18)10-16(15)19/h5-10,12,20H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline?
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline is sourced from PubChem (CID 63451092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).