2-[3-nitro-5-(propylamino)anilino]ethanol

C11H17N3O3 — CID 80766320

IUPAC2-[3-nitro-5-(propylamino)anilino]ethanol
SMILESCCCNc1cc(NCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-2-3-12-9-6-10(13-4-5-15)8-11(7-9)14(16)17/h6-8,12-13,15H,2-5H2,1H3
InChIKeyJCQPBWTVIVYTOA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.82
Rot. Bonds7

About 2-[3-nitro-5-(propylamino)anilino]ethanol

2-[3-nitro-5-(propylamino)anilino]ethanol (PubChem CID 80766320) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-nitro-5-(propylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[3-nitro-5-(propylamino)anilino]ethanol
PubChem CID80766320
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-nitro-5-(propylamino)anilino]ethanol
SMILESCCCNc1cc(NCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-2-3-12-9-6-10(13-4-5-15)8-11(7-9)14(16)17/h6-8,12-13,15H,2-5H2,1H3
InChIKeyJCQPBWTVIVYTOA-UHFFFAOYSA-N
XLogP1.82
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.82
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'}

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Related Compounds

2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231
N-[2-[3-nitro-5-(propylamino)anilino]ethyl]acetamide
CID 80788354
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
2-ethyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80803479
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062
3-methyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80848348
N-ethyl-2-[3-nitro-5-(propylamino)anilino]acetamide
CID 80788196
3-N-(4-methylpentyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80830944
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
5-nitro-1-N-propyl-3-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,3-diamine
CID 80834967
[1-[3-nitro-5-(propylamino)anilino]cyclopentyl]methanol
CID 80802785
3-methylsulfanyl-5-nitro-N-propylaniline
CID 80885666

Frequently Asked Questions

What is the IUPAC name of 2-[3-nitro-5-(propylamino)anilino]ethanol?
The IUPAC name of 2-[3-nitro-5-(propylamino)anilino]ethanol (CID 80766320) is 2-[3-nitro-5-(propylamino)anilino]ethanol.
What is the SMILES notation for 2-[3-nitro-5-(propylamino)anilino]ethanol?
The canonical SMILES for 2-[3-nitro-5-(propylamino)anilino]ethanol is CCCNc1cc(NCCO)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[3-nitro-5-(propylamino)anilino]ethanol?
The InChIKey is JCQPBWTVIVYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-12-9-6-10(13-4-5-15)8-11(7-9)14(16)17/h6-8,12-13,15H,2-5H2,1H3.
What are the key properties of 2-[3-nitro-5-(propylamino)anilino]ethanol?
2-[3-nitro-5-(propylamino)anilino]ethanol has a molecular weight of 239.27 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-nitro-5-(propylamino)anilino]ethanol is sourced from PubChem (CID 80766320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).