4-chloro-2-methoxy-5-methylaniline;ethane

C10H16ClNO — CID 143790774

IUPAC4-chloro-2-methoxy-5-methylaniline;ethane
SMILESCC.COc1cc(Cl)c(C)cc1N
InChIInChI=1S/C8H10ClNO.C2H6/c1-5-3-7(10)8(11-2)4-6(5)9;1-2/h3-4H,10H2,1-2H3;1-2H3
InChIKeyQOKHPDIDIILUNU-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.27
Rot. Bonds1

About 4-chloro-2-methoxy-5-methylaniline;ethane

4-chloro-2-methoxy-5-methylaniline;ethane (PubChem CID 143790774) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methylaniline;ethane.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methylaniline;ethane
PubChem CID143790774
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name4-chloro-2-methoxy-5-methylaniline;ethane
SMILESCC.COc1cc(Cl)c(C)cc1N
InChIInChI=1S/C8H10ClNO.C2H6/c1-5-3-7(10)8(11-2)4-6(5)9;1-2/h3-4H,10H2,1-2H3;1-2H3
InChIKeyQOKHPDIDIILUNU-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
CID 160662548
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
2-chloro-4,5-dimethylaniline
CID 53416768
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
5-amino-2-chloro-4-methoxybenzenesulfonic acid
CID 154102437
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methylaniline;ethane?
The IUPAC name of 4-chloro-2-methoxy-5-methylaniline;ethane (CID 143790774) is 4-chloro-2-methoxy-5-methylaniline;ethane.
What is the SMILES notation for 4-chloro-2-methoxy-5-methylaniline;ethane?
The canonical SMILES for 4-chloro-2-methoxy-5-methylaniline;ethane is CC.COc1cc(Cl)c(C)cc1N.
What is the InChIKey of 4-chloro-2-methoxy-5-methylaniline;ethane?
The InChIKey is QOKHPDIDIILUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.C2H6/c1-5-3-7(10)8(11-2)4-6(5)9;1-2/h3-4H,10H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-2-methoxy-5-methylaniline;ethane?
4-chloro-2-methoxy-5-methylaniline;ethane has a molecular weight of 201.70 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methylaniline;ethane is sourced from PubChem (CID 143790774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).