8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H21N3O3 — CID 80818737

IUPAC8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1cc(N2C3CCC2CC(O)C3)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-16-10-5-13(7-14(6-10)18(20)21)17-11-3-4-12(17)9-15(19)8-11/h5-7,11-12,15-16,19H,2-4,8-9H2,1H3
InChIKeyDRJARKAFSUSPDQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.52
Rot. Bonds4

About 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80818737) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80818737
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1cc(N2C3CCC2CC(O)C3)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-16-10-5-13(7-14(6-10)18(20)21)17-11-3-4-12(17)9-15(19)8-11/h5-7,11-12,15-16,19H,2-4,8-9H2,1H3
InChIKeyDRJARKAFSUSPDQ-UHFFFAOYSA-N
XLogP2.52
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.52
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
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
CID 103358917
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
CID 80817019
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065
N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738604
4-[3-(ethylamino)-5-nitrophenyl]-1-methyl-1,4-diazepan-2-one
CID 102887864
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231
4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
CID 83099245
3-(4,4-dimethylpiperidin-1-yl)-5-nitro-N-propylaniline
CID 80808279

Frequently Asked Questions

What is the IUPAC name of 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80818737) is 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol is CCNc1cc(N2C3CCC2CC(O)C3)cc([N+](=O)[O-])c1.
What is the InChIKey of 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DRJARKAFSUSPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-16-10-5-13(7-14(6-10)18(20)21)17-11-3-4-12(17)9-15(19)8-11/h5-7,11-12,15-16,19H,2-4,8-9H2,1H3.
What are the key properties of 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 291.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80818737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).