2-(2,4-dinitro-N-propylanilino)ethanol

C11H15N3O5 — CID 61425574

IUPAC2-(2,4-dinitro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-2-5-12(6-7-15)10-4-3-9(13(16)17)8-11(10)14(18)19/h3-4,8,15H,2,5-7H2,1H3
InChIKeyNZILLPQPMUJOSK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.71
Rot. Bonds7

About 2-(2,4-dinitro-N-propylanilino)ethanol

2-(2,4-dinitro-N-propylanilino)ethanol (PubChem CID 61425574) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2,4-dinitro-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(2,4-dinitro-N-propylanilino)ethanol
PubChem CID61425574
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-(2,4-dinitro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-2-5-12(6-7-15)10-4-3-9(13(16)17)8-11(10)14(18)19/h3-4,8,15H,2,5-7H2,1H3
InChIKeyNZILLPQPMUJOSK-UHFFFAOYSA-N
XLogP1.71
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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,N-dibutyl-2,4-dinitroaniline
CID 15758071
N-ethyl-2,4-dinitro-N-propylaniline;yttrium
CID 59325886
2-(4-methylsulfonyl-2-nitro-N-propylanilino)ethanol
CID 61426082
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
1-(2,4-dinitro-N-propylanilino)-3-methylbutane-2,3-diol
CID 11616840
4-[2-hydroxyethyl(propyl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 56806804
2-(4-bromo-N-butyl-2-nitroanilino)ethanol
CID 61448290
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699
1-[4-[butyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanone
CID 61446424
2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
CID 61425481
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitro-N-propylanilino)ethanol?
The IUPAC name of 2-(2,4-dinitro-N-propylanilino)ethanol (CID 61425574) is 2-(2,4-dinitro-N-propylanilino)ethanol.
What is the SMILES notation for 2-(2,4-dinitro-N-propylanilino)ethanol?
The canonical SMILES for 2-(2,4-dinitro-N-propylanilino)ethanol is CCCN(CCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitro-N-propylanilino)ethanol?
The InChIKey is NZILLPQPMUJOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-5-12(6-7-15)10-4-3-9(13(16)17)8-11(10)14(18)19/h3-4,8,15H,2,5-7H2,1H3.
What are the key properties of 2-(2,4-dinitro-N-propylanilino)ethanol?
2-(2,4-dinitro-N-propylanilino)ethanol has a molecular weight of 269.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitro-N-propylanilino)ethanol is sourced from PubChem (CID 61425574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).