ethane;N-methoxy-3,4-dimethylaniline

C13H25NO — CID 144566658

IUPACethane;N-methoxy-3,4-dimethylaniline
SMILESCC.CC.CONc1ccc(C)c(C)c1
InChIInChI=1S/C9H13NO.2C2H6/c1-7-4-5-9(10-11-3)6-8(7)2;2*1-2/h4-6,10H,1-3H3;2*1-2H3
InChIKeyVDXXODCVJVNODR-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.33
Rot. Bonds2

About ethane;N-methoxy-3,4-dimethylaniline

ethane;N-methoxy-3,4-dimethylaniline (PubChem CID 144566658) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-methoxy-3,4-dimethylaniline.

Molecular Properties

Compound Nameethane;N-methoxy-3,4-dimethylaniline
PubChem CID144566658
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;N-methoxy-3,4-dimethylaniline
SMILESCC.CC.CONc1ccc(C)c(C)c1
InChIInChI=1S/C9H13NO.2C2H6/c1-7-4-5-9(10-11-3)6-8(7)2;2*1-2/h4-6,10H,1-3H3;2*1-2H3
InChIKeyVDXXODCVJVNODR-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
dimethyl 2,3-bis(3,4-dimethylanilino)but-2-enedioate
CID 71353836
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
methyl (E)-3-(3,4-dimethylanilino)prop-2-enoate
CID 103234163
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925
methyl (2E)-6-(3,4-dimethylanilino)-4-hydroxy-6-oxohexa-2,4-dienoate
CID 54716134
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-3,4-dimethylaniline?
The IUPAC name of ethane;N-methoxy-3,4-dimethylaniline (CID 144566658) is ethane;N-methoxy-3,4-dimethylaniline.
What is the SMILES notation for ethane;N-methoxy-3,4-dimethylaniline?
The canonical SMILES for ethane;N-methoxy-3,4-dimethylaniline is CC.CC.CONc1ccc(C)c(C)c1.
What is the InChIKey of ethane;N-methoxy-3,4-dimethylaniline?
The InChIKey is VDXXODCVJVNODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2C2H6/c1-7-4-5-9(10-11-3)6-8(7)2;2*1-2/h4-6,10H,1-3H3;2*1-2H3.
What are the key properties of ethane;N-methoxy-3,4-dimethylaniline?
ethane;N-methoxy-3,4-dimethylaniline has a molecular weight of 211.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-3,4-dimethylaniline is sourced from PubChem (CID 144566658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).