5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine

C11H18N2O — CID 80722151

IUPAC5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)CC)c1
InChIInChI=1S/C11H18N2O/c1-4-13(3)10-6-9(12)7-11(8-10)14-5-2/h6-8H,4-5,12H2,1-3H3
InChIKeyIVVMWKSBKDQOGZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.12
Rot. Bonds4

About 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine

5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine (PubChem CID 80722151) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
PubChem CID80722151
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)CC)c1
InChIInChI=1S/C11H18N2O/c1-4-13(3)10-6-9(12)7-11(8-10)14-5-2/h6-8H,4-5,12H2,1-3H3
InChIKeyIVVMWKSBKDQOGZ-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.12
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

5-ethoxy-3-N-methyl-3-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059783
3,5-diethoxyaniline
CID 22605063
5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
CID 80739210
5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
CID 80730662
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725896
3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
CID 106914296
3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 80725295
3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
3-ethoxy-5-methylaniline
CID 67863452

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine (CID 80722151) is 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine is CCOc1cc(N)cc(N(C)CC)c1.
What is the InChIKey of 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine?
The InChIKey is IVVMWKSBKDQOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-13(3)10-6-9(12)7-11(8-10)14-5-2/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine?
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 80722151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).