N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline

C15H15Cl2N — CID 13339997

IUPACN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C15H15Cl2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3
InChIKeyWWIIUZRDEYPOAR-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.22
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline (PubChem CID 13339997) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
PubChem CID13339997
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C15H15Cl2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3
InChIKeyWWIIUZRDEYPOAR-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120663
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dimethylanilino)acetamide
CID 109006978

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline (CID 13339997) is N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline?
The InChIKey is WWIIUZRDEYPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline?
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 13339997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).