1-(4-ethyl-2-nitrophenoxy)propan-2-amine

C11H16N2O3 — CID 102689380

IUPAC1-(4-ethyl-2-nitrophenoxy)propan-2-amine
SMILESCCc1ccc(OCC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-3-9-4-5-11(16-7-8(2)12)10(6-9)13(14)15/h4-6,8H,3,7,12H2,1-2H3
InChIKeyILYXHTYLLUWWAN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-ethyl-2-nitrophenoxy)propan-2-amine

1-(4-ethyl-2-nitrophenoxy)propan-2-amine (PubChem CID 102689380) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-ethyl-2-nitrophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-2-nitrophenoxy)propan-2-amine
PubChem CID102689380
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4-ethyl-2-nitrophenoxy)propan-2-amine
SMILESCCc1ccc(OCC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-3-9-4-5-11(16-7-8(2)12)10(6-9)13(14)15/h4-6,8H,3,7,12H2,1-2H3
InChIKeyILYXHTYLLUWWAN-UHFFFAOYSA-N
XLogP1.88
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine
CID 113382672
4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
CID 65490146
2-[4-(2-methylpropoxy)-3-nitrophenyl]ethanethioamide
CID 82152175
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
4-ethyl-2-nitro-1-pent-4-ynoxybenzene
CID 112548324
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
4-ethoxy-3-nitroaniline;hydrochloride
CID 171316041
2-methyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43311885
ethyl 2-(4-ethyl-2-nitrophenoxy)-2-fluoroacetate
CID 79356770

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-nitrophenoxy)propan-2-amine?
The IUPAC name of 1-(4-ethyl-2-nitrophenoxy)propan-2-amine (CID 102689380) is 1-(4-ethyl-2-nitrophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-2-nitrophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-2-nitrophenoxy)propan-2-amine is CCc1ccc(OCC(C)N)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-ethyl-2-nitrophenoxy)propan-2-amine?
The InChIKey is ILYXHTYLLUWWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9-4-5-11(16-7-8(2)12)10(6-9)13(14)15/h4-6,8H,3,7,12H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-nitrophenoxy)propan-2-amine?
1-(4-ethyl-2-nitrophenoxy)propan-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-nitrophenoxy)propan-2-amine is sourced from PubChem (CID 102689380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).