N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine

C12H19N3O4 — CID 83030913

IUPACN-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C12H19N3O4/c1-18-8-7-13-5-6-14-10-3-4-11(15(16)17)12(9-10)19-2/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyCCSPGEZJDQJHTG-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.25
Rot. Bonds9

About N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine (PubChem CID 83030913) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
PubChem CID83030913
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C12H19N3O4/c1-18-8-7-13-5-6-14-10-3-4-11(15(16)17)12(9-10)19-2/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyCCSPGEZJDQJHTG-UHFFFAOYSA-N
XLogP1.25
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-(4-nitro-3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83037133
N-ethyl-N'-(3-methoxy-4-nitrophenyl)propane-1,3-diamine
CID 63671189
3-(3-methoxy-4-nitroanilino)propan-1-ol
CID 63670416
N-cyclopropyl-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 63672015
N-(3-methoxy-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 63671596
3-methoxy-4-nitro-N-pent-4-ynylaniline
CID 103704458
2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide
CID 106337823
N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
1-N-(3-methoxy-4-nitrophenyl)propane-1,2-diamine
CID 63731081
4-(3-methoxy-4-nitroanilino)-2-phenylbutan-2-ol
CID 133495818
N'-(4-iodo-2-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83029878

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine (CID 83030913) is N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine is COCCNCCNc1ccc([N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is CCSPGEZJDQJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-18-8-7-13-5-6-14-10-3-4-11(15(16)17)12(9-10)19-2/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 269.30 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 83030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).