2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline

C17H19Cl2NO — CID 104726578

IUPAC2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-10-5-6-13(17(7-10)21-4)12(3)20-16-9-14(18)11(2)8-15(16)19/h5-9,12,20H,1-4H3
InChIKeyCELKFEKWPPJFOO-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.79
Rot. Bonds4

About 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline

2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline (PubChem CID 104726578) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
PubChem CID104726578
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-10-5-6-13(17(7-10)21-4)12(3)20-16-9-14(18)11(2)8-15(16)19/h5-9,12,20H,1-4H3
InChIKeyCELKFEKWPPJFOO-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline (CID 104726578) is 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline is COc1cc(C)ccc1C(C)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The InChIKey is CELKFEKWPPJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-5-6-13(17(7-10)21-4)12(3)20-16-9-14(18)11(2)8-15(16)19/h5-9,12,20H,1-4H3.
What are the key properties of 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 104726578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).