2,6-dimethoxyaniline;ethane

C10H17NO2 — CID 145233133

IUPAC2,6-dimethoxyaniline;ethane
SMILESCC.COc1cccc(OC)c1N
InChIInChI=1S/C8H11NO2.C2H6/c1-10-6-4-3-5-7(11-2)8(6)9;1-2/h3-5H,9H2,1-2H3;1-2H3
InChIKeyWDYAQMRJBIJTIV-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.31
Rot. Bonds2

About 2,6-dimethoxyaniline;ethane

2,6-dimethoxyaniline;ethane (PubChem CID 145233133) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,6-dimethoxyaniline;ethane.

Molecular Properties

Compound Name2,6-dimethoxyaniline;ethane
PubChem CID145233133
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,6-dimethoxyaniline;ethane
SMILESCC.COc1cccc(OC)c1N
InChIInChI=1S/C8H11NO2.C2H6/c1-10-6-4-3-5-7(11-2)8(6)9;1-2/h3-5H,9H2,1-2H3;1-2H3
InChIKeyWDYAQMRJBIJTIV-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;3-methoxybenzene-1,2-diamine
CID 174908169
2,6-dimethoxyaniline;2-isothiocyanato-1,3-dimethoxybenzene
CID 159333940
2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxy-6-prop-1-ynylaniline
CID 141410918
2-(2-bromoethynyl)-6-methoxyaniline
CID 143581965
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
CID 116688655
ethane;methyl 2-(2-amino-3-methoxyphenyl)-2-oxoacetate
CID 145133891
5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
CID 96610158
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
3-methoxy-2-nitrosoaniline;hydrochloride
CID 90401727

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxyaniline;ethane?
The IUPAC name of 2,6-dimethoxyaniline;ethane (CID 145233133) is 2,6-dimethoxyaniline;ethane.
What is the SMILES notation for 2,6-dimethoxyaniline;ethane?
The canonical SMILES for 2,6-dimethoxyaniline;ethane is CC.COc1cccc(OC)c1N.
What is the InChIKey of 2,6-dimethoxyaniline;ethane?
The InChIKey is WDYAQMRJBIJTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-10-6-4-3-5-7(11-2)8(6)9;1-2/h3-5H,9H2,1-2H3;1-2H3.
What are the key properties of 2,6-dimethoxyaniline;ethane?
2,6-dimethoxyaniline;ethane has a molecular weight of 183.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxyaniline;ethane is sourced from PubChem (CID 145233133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).