2,4-dimethoxy-N-methylaniline;ethane

C11H19NO2 — CID 143206191

IUPAC2,4-dimethoxy-N-methylaniline;ethane
SMILESCC.CNc1ccc(OC)cc1OC
InChIInChI=1S/C9H13NO2.C2H6/c1-10-8-5-4-7(11-2)6-9(8)12-3;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyVDFPTYFCTHMDNG-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.77
Rot. Bonds3

About 2,4-dimethoxy-N-methylaniline;ethane

2,4-dimethoxy-N-methylaniline;ethane (PubChem CID 143206191) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methylaniline;ethane.

Molecular Properties

Compound Name2,4-dimethoxy-N-methylaniline;ethane
PubChem CID143206191
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,4-dimethoxy-N-methylaniline;ethane
SMILESCC.CNc1ccc(OC)cc1OC
InChIInChI=1S/C9H13NO2.C2H6/c1-10-8-5-4-7(11-2)6-9(8)12-3;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyVDFPTYFCTHMDNG-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-iodo-4-methoxy-N-methylaniline
CID 11010799
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
2-(2,4-dimethoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610584
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
ethane;2-methoxy-N-methyl-4-propylaniline
CID 156712909
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
2,4-dimethoxy-N-pentylaniline
CID 28570496

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methylaniline;ethane?
The IUPAC name of 2,4-dimethoxy-N-methylaniline;ethane (CID 143206191) is 2,4-dimethoxy-N-methylaniline;ethane.
What is the SMILES notation for 2,4-dimethoxy-N-methylaniline;ethane?
The canonical SMILES for 2,4-dimethoxy-N-methylaniline;ethane is CC.CNc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-methylaniline;ethane?
The InChIKey is VDFPTYFCTHMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c1-10-8-5-4-7(11-2)6-9(8)12-3;1-2/h4-6,10H,1-3H3;1-2H3.
What are the key properties of 2,4-dimethoxy-N-methylaniline;ethane?
2,4-dimethoxy-N-methylaniline;ethane has a molecular weight of 197.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methylaniline;ethane is sourced from PubChem (CID 143206191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).