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

C13H20N2O4 — CID 142721434

IUPACN,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1cccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)9-10-19-12-8-6-7-11(18-3)13(12)15(16)17/h6-8H,4-5,9-10H2,1-3H3
InChIKeyLIVQTWYSQHEXGE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.32
Rot. Bonds8

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

N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine (PubChem CID 142721434) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
PubChem CID142721434
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1cccc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)9-10-19-12-8-6-7-11(18-3)13(12)15(16)17/h6-8H,4-5,9-10H2,1-3H3
InChIKeyLIVQTWYSQHEXGE-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

N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
CID 19594819
2-nitro-1,3-dioctoxybenzene
CID 537243
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
CID 60509442
2-(4-bromo-2-nitrophenoxy)-N,N-diethylethanamine
CID 61373429
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
3-(methoxymethoxy)-2-nitroaniline
CID 91619111
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
3-[3-(dimethylamino)propoxy]-N-ethyl-2-nitroaniline
CID 80871733

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine (CID 142721434) is N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine is CCN(CC)CCOc1cccc(OC)c1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine?
The InChIKey is LIVQTWYSQHEXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-14(5-2)9-10-19-12-8-6-7-11(18-3)13(12)15(16)17/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine?
N,N-diethyl-2-(3-methoxy-2-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-(3-methoxy-2-nitrophenoxy)ethanamine is sourced from PubChem (CID 142721434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).