N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine

C13H20N2O4 — CID 59427849

IUPACN,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)8-9-19-11-6-7-13(18-3)12(10-11)15(16)17/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyMPQKJXSWSQWNGC-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.32
Rot. Bonds8

About N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine

N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine (PubChem CID 59427849) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
PubChem CID59427849
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)8-9-19-11-6-7-13(18-3)12(10-11)15(16)17/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyMPQKJXSWSQWNGC-UHFFFAOYSA-N
XLogP2.32
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
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

2-(4-bromo-2-nitrophenoxy)-N,N-diethylethanamine
CID 61373429
4-(3,3-diethoxypropoxy)-1-methoxy-2-nitrobenzene
CID 103201867
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
4-(4-methoxy-3-nitrophenoxy)butane-1-sulfonyl chloride
CID 103202297
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
N,N-diethyl-3-(3-fluoro-4-nitrophenoxy)propan-1-amine
CID 22014733
N,N-diethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]ethanamine
CID 43277714
tert-butyl 3-(4-methoxy-3-nitrophenoxy)propanoate
CID 103201539
2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103202309
N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
CID 29015980
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine (CID 59427849) is N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine is CCN(CC)CCOc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine?
The InChIKey is MPQKJXSWSQWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-14(5-2)8-9-19-11-6-7-13(18-3)12(10-11)15(16)17/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine?
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine has a molecular weight of 268.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine is sourced from PubChem (CID 59427849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).