2-(2-nitro-N-propylanilino)ethanol

C11H16N2O3 — CID 61426021

IUPAC2-(2-nitro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-2-7-12(8-9-14)10-5-3-4-6-11(10)13(15)16/h3-6,14H,2,7-9H2,1H3
InChIKeyYMYKDJTZMOBKAI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-nitro-N-propylanilino)ethanol

2-(2-nitro-N-propylanilino)ethanol (PubChem CID 61426021) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-nitro-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(2-nitro-N-propylanilino)ethanol
PubChem CID61426021
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-nitro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-2-7-12(8-9-14)10-5-3-4-6-11(10)13(15)16/h3-6,14H,2,7-9H2,1H3
InChIKeyYMYKDJTZMOBKAI-UHFFFAOYSA-N
XLogP1.80
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

2-[N-(2,2-dimethylpropyl)-2-nitroanilino]ethanol
CID 71845215
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
N,N-diheptyl-2-nitroaniline
CID 139722585
2-nitro-N,N-dioctylaniline
CID 138786720
2-(4-methylsulfonyl-2-nitro-N-propylanilino)ethanol
CID 61426082
(2-nitrophenyl)-propylcarbamic acid
CID 175264471
3-(N-ethyl-2-nitroanilino)propanoic acid
CID 61010889
4-[2-hydroxyethyl(propyl)amino]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 56806804
2-(4-methyl-3-nitro-N-propylanilino)ethanol
CID 62911117
2-[(5-nitroisoquinolin-8-yl)-propylamino]ethanol
CID 103142518
2-(N-butyl-5-chloro-2-nitroanilino)ethanol
CID 113316454
2-(4-bromo-N-butyl-2-nitroanilino)ethanol
CID 61448290

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-N-propylanilino)ethanol?
The IUPAC name of 2-(2-nitro-N-propylanilino)ethanol (CID 61426021) is 2-(2-nitro-N-propylanilino)ethanol.
What is the SMILES notation for 2-(2-nitro-N-propylanilino)ethanol?
The canonical SMILES for 2-(2-nitro-N-propylanilino)ethanol is CCCN(CCO)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitro-N-propylanilino)ethanol?
The InChIKey is YMYKDJTZMOBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-7-12(8-9-14)10-5-3-4-6-11(10)13(15)16/h3-6,14H,2,7-9H2,1H3.
What are the key properties of 2-(2-nitro-N-propylanilino)ethanol?
2-(2-nitro-N-propylanilino)ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-N-propylanilino)ethanol is sourced from PubChem (CID 61426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).