5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol

C15H16Cl2N2O4 — CID 160662548

IUPAC5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
SMILESCOc1cc(C)c(Cl)cc1N.Cc1cc(O)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClNO.C7H6ClNO3/c1-5-3-8(11-2)7(10)4-6(5)9;1-4-2-7(10)6(9(11)12)3-5(4)8/h3-4H,10H2,1-2H3;2-3,10H,1H3
InChIKeyRLWGWNHIUXOXDM-UHFFFAOYSA-N
MW359.21 g/mol
LogP4.50
Rot. Bonds2

About 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol

5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol (PubChem CID 160662548) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
PubChem CID160662548
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
SMILESCOc1cc(C)c(Cl)cc1N.Cc1cc(O)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClNO.C7H6ClNO3/c1-5-3-8(11-2)7(10)4-6(5)9;1-4-2-7(10)6(9(11)12)3-5(4)8/h3-4H,10H2,1-2H3;2-3,10H,1H3
InChIKeyRLWGWNHIUXOXDM-UHFFFAOYSA-N
XLogP4.50
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-isocyanato-4-methoxy-2-methylbenzene;5-chloro-2-methoxy-4-methylaniline;1-chloro-4-methoxy-2-methyl-5-nitrobenzene;4-chloro-5-methyl-2-nitrophenol
CID 167640282
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
5-bromo-4-methyl-2-nitroaniline;5-chloro-2-methoxy-4-nitroaniline
CID 87659403
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
(5-chloro-2-methoxy-4-methylphenyl)-methoxy-oxoazanium
CID 142513053
2-amino-5-methyl-4-nitrophenol
CID 12781867
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
4-chloro-2,5-dimethylaniline;2,4,6-trinitrophenol
CID 131886524
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
2-chloro-4,5-dimethoxyaniline;1-chloro-4,5-dimethoxy-2-nitrobenzene;dichlorotin
CID 165072358
ethane;methyl 4-hydroxy-2-methyl-5-nitrobenzoate
CID 143821268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol?
The IUPAC name of 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol (CID 160662548) is 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol.
What is the SMILES notation for 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol?
The canonical SMILES for 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol is COc1cc(C)c(Cl)cc1N.Cc1cc(O)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol?
The InChIKey is RLWGWNHIUXOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.C7H6ClNO3/c1-5-3-8(11-2)7(10)4-6(5)9;1-4-2-7(10)6(9(11)12)3-5(4)8/h3-4H,10H2,1-2H3;2-3,10H,1H3.
What are the key properties of 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol?
5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol has a molecular weight of 359.21 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol is sourced from PubChem (CID 160662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).