N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine

C10H15N3O2 — CID 57324403

IUPACN'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine
SMILESCCc1cc([N+](=O)[O-])ccc1NCCN
InChIInChI=1S/C10H15N3O2/c1-2-8-7-9(13(14)15)3-4-10(8)12-6-5-11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyDKULSJCXMCJPIU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.53
Rot. Bonds5

About N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine

N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine (PubChem CID 57324403) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine
PubChem CID57324403
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine
SMILESCCc1cc([N+](=O)[O-])ccc1NCCN
InChIInChI=1S/C10H15N3O2/c1-2-8-7-9(13(14)15)3-4-10(8)12-6-5-11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyDKULSJCXMCJPIU-UHFFFAOYSA-N
XLogP1.53
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
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

N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
CID 66093261
4-nitro-2-(propan-2-ylsulfanylmethyl)-N-propylaniline
CID 62188275
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
2-[[cyclopropyl(methyl)amino]methyl]-4-nitro-N-propylaniline
CID 62183419
2-[[5-nitro-2-(propylamino)phenyl]methylsulfanyl]ethanol
CID 62190026
N'-(2,4-dinitrophenyl)octane-1,8-diamine
CID 121482468
1-N-(2-aminoethyl)-2-nitrobenzene-1,4-diamine;ethane;propane
CID 162439486
4-(2-aminoethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 43162671
2-bromo-N-(2-ethylsulfonylethyl)-4-nitroaniline
CID 114111392
2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
CID 62183553
N-butyl-2-ethylsulfonyl-4-nitroaniline
CID 165086267
2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline
CID 62194303

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine (CID 57324403) is N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine is CCc1cc([N+](=O)[O-])ccc1NCCN.
What is the InChIKey of N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is DKULSJCXMCJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8-7-9(13(14)15)3-4-10(8)12-6-5-11/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine?
N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 209.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 57324403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).