4-(3-aminopropyl)-2-methoxy-6-nitrophenol

C10H14N2O4 — CID 83477660

IUPAC4-(3-aminopropyl)-2-methoxy-6-nitrophenol
SMILESCOc1cc(CCCN)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O4/c1-16-9-6-7(3-2-4-11)5-8(10(9)13)12(14)15/h5-6,13H,2-4,11H2,1H3
InChIKeyLTRFIMVDUNDMCV-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.20
Rot. Bonds5

About 4-(3-aminopropyl)-2-methoxy-6-nitrophenol

4-(3-aminopropyl)-2-methoxy-6-nitrophenol (PubChem CID 83477660) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-methoxy-6-nitrophenol
PubChem CID83477660
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(3-aminopropyl)-2-methoxy-6-nitrophenol
SMILESCOc1cc(CCCN)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O4/c1-16-9-6-7(3-2-4-11)5-8(10(9)13)12(14)15/h5-6,13H,2-4,11H2,1H3
InChIKeyLTRFIMVDUNDMCV-UHFFFAOYSA-N
XLogP1.20
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.20
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

2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetonitrile
CID 116987650
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-piperazin-1-ylpropan-1-one
CID 112720332
4-(4-aminobutan-2-yl)-2-methoxy-6-nitrophenol
CID 116987611
4-[(1S)-1,2-diaminoethyl]-2-methoxy-6-nitrophenol
CID 66518103
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
2-methoxy-6-nitro-4-(piperidin-4-ylmethyl)phenol
CID 116987626
4-[(1R)-1-amino-3-fluoropropyl]-2-methoxy-6-nitrophenol;hydrochloride
CID 171208094
4-[(1R)-1-amino-3,3-difluoropropyl]-2-methoxy-6-nitrophenol
CID 171313762
4-(4-aminophenyl)-2-methoxy-6-nitrophenol
CID 116987628
2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol
CID 116987625
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-methylphenyl)propanoic acid
CID 112720335

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-methoxy-6-nitrophenol?
The IUPAC name of 4-(3-aminopropyl)-2-methoxy-6-nitrophenol (CID 83477660) is 4-(3-aminopropyl)-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-(3-aminopropyl)-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-(3-aminopropyl)-2-methoxy-6-nitrophenol is COc1cc(CCCN)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-(3-aminopropyl)-2-methoxy-6-nitrophenol?
The InChIKey is LTRFIMVDUNDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-9-6-7(3-2-4-11)5-8(10(9)13)12(14)15/h5-6,13H,2-4,11H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-methoxy-6-nitrophenol?
4-(3-aminopropyl)-2-methoxy-6-nitrophenol has a molecular weight of 226.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-methoxy-6-nitrophenol is sourced from PubChem (CID 83477660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).