N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline

C15H15Cl2NO — CID 63451269

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-6-14(15(7-10)19-2)18-9-11-4-5-12(16)8-13(11)17/h3-8,18H,9H2,1-2H3
InChIKeyABUPQQSHQYPYGU-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.92
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline (PubChem CID 63451269) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
PubChem CID63451269
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-6-14(15(7-10)19-2)18-9-11-4-5-12(16)8-13(11)17/h3-8,18H,9H2,1-2H3
InChIKeyABUPQQSHQYPYGU-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818943
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline (CID 63451269) is N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline?
The InChIKey is ABUPQQSHQYPYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-3-6-14(15(7-10)19-2)18-9-11-4-5-12(16)8-13(11)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline?
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 63451269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).