2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine

C11H16N2O4 — CID 112720413

IUPAC2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
SMILESCCOc1cc(CCN)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O4/c1-3-17-11-6-8(4-5-12)9(13(14)15)7-10(11)16-2/h6-7H,3-5,12H2,1-2H3
InChIKeyHHOBOARQRIRWSU-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.50
Rot. Bonds6

About 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine

2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine (PubChem CID 112720413) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
PubChem CID112720413
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
SMILESCCOc1cc(CCN)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O4/c1-3-17-11-6-8(4-5-12)9(13(14)15)7-10(11)16-2/h6-7H,3-5,12H2,1-2H3
InChIKeyHHOBOARQRIRWSU-UHFFFAOYSA-N
XLogP1.50
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293
4-(4-methoxy-2-nitro-5-propoxyphenyl)butan-2-amine
CID 112720436
(5-methoxy-2-nitro-4-pentoxyphenyl)methanamine
CID 43311550
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
2-(4,5-diethoxy-2-nitrophenyl)ethyl 4-sulfanylbutanoate;2-(4,5-dimethoxy-2-nitrophenyl)ethyl 4-sulfanylbutanoate;3-sulfanylpropyl 3-(4,5-diethoxy-2-nitrophenyl)propanoate;3-sulfanylpropyl 3-(4,5-dimethoxy-2-nitrophenyl)propanoate
CID 163504394
3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
1-(bromomethyl)-5-methoxy-4-(2-methylpropoxy)-2-nitrobenzene
CID 43311784
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
2-[[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]methyl]pyrimidine
CID 62699573
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
2-(4,5-dimethoxy-2-nitrophenyl)ethyl methanesulfonate
CID 18789880

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine?
The IUPAC name of 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine (CID 112720413) is 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine is CCOc1cc(CCN)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine?
The InChIKey is HHOBOARQRIRWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-11-6-8(4-5-12)9(13(14)15)7-10(11)16-2/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine?
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine is sourced from PubChem (CID 112720413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).