2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol

C13H19N3O3 — CID 106751554

IUPAC2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
SMILESNc1cc(N(CCO)C2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-12-9-11(5-6-13(12)16(18)19)15(7-8-17)10-3-1-2-4-10/h5-6,9-10,17H,1-4,7-8,14H2
InChIKeyVAAFUYSWKMZHDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds5

About 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol

2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol (PubChem CID 106751554) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
PubChem CID106751554
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
SMILESNc1cc(N(CCO)C2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-12-9-11(5-6-13(12)16(18)19)15(7-8-17)10-3-1-2-4-10/h5-6,9-10,17H,1-4,7-8,14H2
InChIKeyVAAFUYSWKMZHDR-UHFFFAOYSA-N
XLogP1.92
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
5-[cyclobutyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 102863201
1-N-(4-aminocyclohexyl)-1-N-ethyl-4-nitrobenzene-1,3-diamine
CID 106749914
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
CID 66080534
2-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 104500447
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
CID 102675210
2-(3-amino-4-nitro-N-pentan-3-ylanilino)ethanol
CID 106751588
2-[(4-amino-3-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62208055

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol?
The IUPAC name of 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol (CID 106751554) is 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol.
What is the SMILES notation for 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol?
The canonical SMILES for 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol is Nc1cc(N(CCO)C2CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol?
The InChIKey is VAAFUYSWKMZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-12-9-11(5-6-13(12)16(18)19)15(7-8-17)10-3-1-2-4-10/h5-6,9-10,17H,1-4,7-8,14H2.
What are the key properties of 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol?
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol is sourced from PubChem (CID 106751554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).