1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol

C13H19N3O3 — CID 103358917

IUPAC1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
SMILESCCNc1cc(N2CCC(C)(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-14-10-6-11(8-12(7-10)16(18)19)15-5-4-13(2,17)9-15/h6-8,14,17H,3-5,9H2,1-2H3
InChIKeySJMPPOZBLHVGBW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds4

About 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol

1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358917) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
PubChem CID103358917
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
SMILESCCNc1cc(N2CCC(C)(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-14-10-6-11(8-12(7-10)16(18)19)15-5-4-13(2,17)9-15/h6-8,14,17H,3-5,9H2,1-2H3
InChIKeySJMPPOZBLHVGBW-UHFFFAOYSA-N
XLogP1.99
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
3-(4,4-dimethylpiperidin-1-yl)-5-nitro-N-propylaniline
CID 80808279
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
CID 80817019
4-[3-(ethylamino)-5-nitrophenyl]-1-methyl-1,4-diazepan-2-one
CID 102887864
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
3-nitro-N-propyl-5-thiomorpholin-4-ylaniline
CID 80764613
4-[3-nitro-5-(propylamino)phenyl]-1,4-diazepan-2-one
CID 80827637
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol (CID 103358917) is 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol is CCNc1cc(N2CCC(C)(O)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is SJMPPOZBLHVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-14-10-6-11(8-12(7-10)16(18)19)15-5-4-13(2,17)9-15/h6-8,14,17H,3-5,9H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol?
1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol has a molecular weight of 265.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).