2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol

C11H16N2O5 — CID 4640416

IUPAC2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1N(CCO)CCO
InChIInChI=1S/C11H16N2O5/c1-18-11-3-2-9(13(16)17)8-10(11)12(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyCEAKEZNADDWDSZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.39
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol

2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol (PubChem CID 4640416) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
PubChem CID4640416
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1N(CCO)CCO
InChIInChI=1S/C11H16N2O5/c1-18-11-3-2-9(13(16)17)8-10(11)12(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyCEAKEZNADDWDSZ-UHFFFAOYSA-N
XLogP0.39
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methoxy-5-nitro-N-prop-2-ynylanilino)propanoic acid
CID 82320216
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
2-[2-chloro-N-(2-methoxyethyl)-4-nitroanilino]ethanol
CID 115672534
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699
1-(2-methoxy-5-nitrophenyl)-1-propylthiourea
CID 18322274
N,N-bis[(2-bromophenyl)methyl]-2-methoxy-5-nitroaniline
CID 18512278
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol (CID 4640416) is 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol is COc1ccc([N+](=O)[O-])cc1N(CCO)CCO.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol?
The InChIKey is CEAKEZNADDWDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-18-11-3-2-9(13(16)17)8-10(11)12(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol?
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol has a molecular weight of 256.26 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol is sourced from PubChem (CID 4640416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).