2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline

C14H14Cl2N2 — CID 104726127

IUPAC2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1cc(Cl)c(NC(C)c2ccncc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-7-13(16)14(8-12(9)15)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,1-2H3
InChIKeyYZJVAPRSDXAVMF-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.87
Rot. Bonds3

About 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline

2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 104726127) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
PubChem CID104726127
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1cc(Cl)c(NC(C)c2ccncc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-9-7-13(16)14(8-12(9)15)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,1-2H3
InChIKeyYZJVAPRSDXAVMF-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline (CID 104726127) is 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline is Cc1cc(Cl)c(NC(C)c2ccncc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is YZJVAPRSDXAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-7-13(16)14(8-12(9)15)18-10(2)11-3-5-17-6-4-11/h3-8,10,18H,1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline?
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 281.19 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 104726127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).