2-[3-(ethylamino)-5-nitroanilino]ethanol

C10H15N3O3 — CID 80766231

IUPAC2-[3-(ethylamino)-5-nitroanilino]ethanol
SMILESCCNc1cc(NCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O3/c1-2-11-8-5-9(12-3-4-14)7-10(6-8)13(15)16/h5-7,11-12,14H,2-4H2,1H3
InChIKeySACFSUBBIANSPV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-(ethylamino)-5-nitroanilino]ethanol

2-[3-(ethylamino)-5-nitroanilino]ethanol (PubChem CID 80766231) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(ethylamino)-5-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)-5-nitroanilino]ethanol
PubChem CID80766231
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-(ethylamino)-5-nitroanilino]ethanol
SMILESCCNc1cc(NCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O3/c1-2-11-8-5-9(12-3-4-14)7-10(6-8)13(15)16/h5-7,11-12,14H,2-4H2,1H3
InChIKeySACFSUBBIANSPV-UHFFFAOYSA-N
XLogP1.43
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(ethylamino)-5-nitroanilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
3-N-[3-(diethylamino)propyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80772638
3-N-[2-(diethylamino)ethyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80770128
3-N-(3,5-dichlorophenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80768290
N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide
CID 80788070
1-N-ethyl-5-nitro-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80785577
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
3-N-(3,4-dimethylphenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80729876
1-N-ethyl-5-nitro-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80827672
2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]ethanol
CID 80827179
N-ethyl-2-[3-nitro-5-(propylamino)anilino]acetamide
CID 80788196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-5-nitroanilino]ethanol?
The IUPAC name of 2-[3-(ethylamino)-5-nitroanilino]ethanol (CID 80766231) is 2-[3-(ethylamino)-5-nitroanilino]ethanol.
What is the SMILES notation for 2-[3-(ethylamino)-5-nitroanilino]ethanol?
The canonical SMILES for 2-[3-(ethylamino)-5-nitroanilino]ethanol is CCNc1cc(NCCO)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[3-(ethylamino)-5-nitroanilino]ethanol?
The InChIKey is SACFSUBBIANSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-11-8-5-9(12-3-4-14)7-10(6-8)13(15)16/h5-7,11-12,14H,2-4H2,1H3.
What are the key properties of 2-[3-(ethylamino)-5-nitroanilino]ethanol?
2-[3-(ethylamino)-5-nitroanilino]ethanol has a molecular weight of 225.25 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-5-nitroanilino]ethanol is sourced from PubChem (CID 80766231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).