N-(5-methoxy-2-nitrophenyl)oxolan-3-amine

C11H14N2O4 — CID 80714205

IUPACN-(5-methoxy-2-nitrophenyl)oxolan-3-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC2)c1
InChIInChI=1S/C11H14N2O4/c1-16-9-2-3-11(13(14)15)10(6-9)12-8-4-5-17-7-8/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyZQHRZXJAUMPLND-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.80
Rot. Bonds4

About N-(5-methoxy-2-nitrophenyl)oxolan-3-amine

N-(5-methoxy-2-nitrophenyl)oxolan-3-amine (PubChem CID 80714205) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(5-methoxy-2-nitrophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-nitrophenyl)oxolan-3-amine
PubChem CID80714205
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(5-methoxy-2-nitrophenyl)oxolan-3-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC2)c1
InChIInChI=1S/C11H14N2O4/c1-16-9-2-3-11(13(14)15)10(6-9)12-8-4-5-17-7-8/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyZQHRZXJAUMPLND-UHFFFAOYSA-N
XLogP1.80
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
CID 115563832
5-methoxy-2-nitro-N-(oxolan-3-ylmethyl)aniline
CID 79033445
N-cyclohex-3-en-1-yl-5-methoxy-2-nitroaniline
CID 79033286
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
3-(5-methoxy-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630159
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
CID 114504788
2-[cyclopropylmethyl-[3-(5-methoxy-2-nitroanilino)cyclobutyl]amino]acetic acid
CID 122061197
N-(4-methoxy-2-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230837
N-(4-ethyl-3-nitrophenyl)oxolan-3-amine
CID 63335802
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
2-N-(1,3-dioxolan-2-ylmethyl)-4-methoxybenzene-1,2-diamine;N-(1,3-dioxolan-2-ylmethyl)-5-methoxy-2-nitroaniline
CID 159090492

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-nitrophenyl)oxolan-3-amine?
The IUPAC name of N-(5-methoxy-2-nitrophenyl)oxolan-3-amine (CID 80714205) is N-(5-methoxy-2-nitrophenyl)oxolan-3-amine.
What is the SMILES notation for N-(5-methoxy-2-nitrophenyl)oxolan-3-amine?
The canonical SMILES for N-(5-methoxy-2-nitrophenyl)oxolan-3-amine is COc1ccc([N+](=O)[O-])c(NC2CCOC2)c1.
What is the InChIKey of N-(5-methoxy-2-nitrophenyl)oxolan-3-amine?
The InChIKey is ZQHRZXJAUMPLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-9-2-3-11(13(14)15)10(6-9)12-8-4-5-17-7-8/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of N-(5-methoxy-2-nitrophenyl)oxolan-3-amine?
N-(5-methoxy-2-nitrophenyl)oxolan-3-amine has a molecular weight of 238.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-nitrophenyl)oxolan-3-amine is sourced from PubChem (CID 80714205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).