4-(2-aminopropyl)-2-ethoxy-6-nitrophenol

C11H16N2O4 — CID 170864581

IUPAC4-(2-aminopropyl)-2-ethoxy-6-nitrophenol
SMILESCCOc1cc(CC(C)N)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H16N2O4/c1-3-17-10-6-8(4-7(2)12)5-9(11(10)14)13(15)16/h5-7,14H,3-4,12H2,1-2H3
InChIKeyVSJZCHYWZVEAGD-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.59
Rot. Bonds5

About 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol

4-(2-aminopropyl)-2-ethoxy-6-nitrophenol (PubChem CID 170864581) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-ethoxy-6-nitrophenol
PubChem CID170864581
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(2-aminopropyl)-2-ethoxy-6-nitrophenol
SMILESCCOc1cc(CC(C)N)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H16N2O4/c1-3-17-10-6-8(4-7(2)12)5-9(11(10)14)13(15)16/h5-7,14H,3-4,12H2,1-2H3
InChIKeyVSJZCHYWZVEAGD-UHFFFAOYSA-N
XLogP1.59
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.59
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

4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
4-[(2S)-2-aminopropyl]-2-nitrophenol
CID 131031140
5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 112720994
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
2,3-diethoxy-4,6-dinitrophenol
CID 156633172
2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
1-cyclopropyl-2-(3-ethoxy-4-nitrophenyl)ethanamine
CID 63677767
4-(2-aminopropyl)-5-nitrobenzene-1,2-diol
CID 131374132
2-[(1S)-1-amino-2-hydroxyethyl]-4-(hydroxymethyl)-6-nitrophenol
CID 66514961
4-(3-aminopropyl)-2-methoxy-6-nitrophenol
CID 83477660

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol?
The IUPAC name of 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol (CID 170864581) is 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol.
What is the SMILES notation for 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol?
The canonical SMILES for 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol is CCOc1cc(CC(C)N)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol?
The InChIKey is VSJZCHYWZVEAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-10-6-8(4-7(2)12)5-9(11(10)14)13(15)16/h5-7,14H,3-4,12H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol?
4-(2-aminopropyl)-2-ethoxy-6-nitrophenol has a molecular weight of 240.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-ethoxy-6-nitrophenol is sourced from PubChem (CID 170864581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).