N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine

C13H20N2O4 — CID 142721432

IUPACN,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)6-7-19-13-9-11(15(16)17)8-12(10-13)18-3/h8-10H,4-7H2,1-3H3
InChIKeyIXHLUCKUHNOSFI-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.32
Rot. Bonds8

About N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine

N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine (PubChem CID 142721432) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
PubChem CID142721432
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
SMILESCCN(CC)CCOc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H20N2O4/c1-4-14(5-2)6-7-19-13-9-11(15(16)17)8-12(10-13)18-3/h8-10H,4-7H2,1-3H3
InChIKeyIXHLUCKUHNOSFI-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

3-(3-methoxy-5-nitrophenoxy)propan-1-ol
CID 178030483
3-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 80748413
N-[2-(3-methoxy-5-nitrophenoxy)ethyl]propan-1-amine
CID 80743291
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
N',N'-diethyl-N-[(3-methoxy-5-nitrophenyl)methyl]propane-1,3-diamine
CID 81145400
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158645536
methyl 2-[ethyl-[(3-methoxy-5-nitrophenyl)methyl]amino]acetate
CID 81166191
3-(3-ethoxy-5-nitrophenoxy)propan-1-amine
CID 80744007
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
CID 112758541

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine (CID 142721432) is N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine is CCN(CC)CCOc1cc(OC)cc([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine?
The InChIKey is IXHLUCKUHNOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-14(5-2)6-7-19-13-9-11(15(16)17)8-12(10-13)18-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine?
N,N-diethyl-2-(3-methoxy-5-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-5-nitrophenoxy)ethanamine is sourced from PubChem (CID 142721432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).