4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline

C15H15Cl2NO — CID 139788451

IUPAC4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
SMILESCOc1ccc(Nc2cc(Cl)c(Cl)cc2C)c(C)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-6-11(19-3)4-5-14(9)18-15-8-13(17)12(16)7-10(15)2/h4-8,18H,1-3H3
InChIKeyQRQSXNYNTGQNJC-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.36
Rot. Bonds3

About 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline

4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline (PubChem CID 139788451) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Name4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
PubChem CID139788451
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
SMILESCOc1ccc(Nc2cc(Cl)c(Cl)cc2C)c(C)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-6-11(19-3)4-5-14(9)18-15-8-13(17)12(16)7-10(15)2/h4-8,18H,1-3H3
InChIKeyQRQSXNYNTGQNJC-UHFFFAOYSA-N
XLogP5.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine
CID 23457248
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
1-N-(2-bromo-5-chloro-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 104722286

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline?
The IUPAC name of 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline (CID 139788451) is 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline.
What is the SMILES notation for 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline?
The canonical SMILES for 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline is COc1ccc(Nc2cc(Cl)c(Cl)cc2C)c(C)c1.
What is the InChIKey of 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline?
The InChIKey is QRQSXNYNTGQNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-6-11(19-3)4-5-14(9)18-15-8-13(17)12(16)7-10(15)2/h4-8,18H,1-3H3.
What are the key properties of 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline?
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline is sourced from PubChem (CID 139788451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).