N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine

C14H20N2O4 — CID 115563832

IUPACN-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC(C)(C)C2)c1
InChIInChI=1S/C14H20N2O4/c1-14(2)9-10(6-7-20-14)15-12-8-11(19-3)4-5-13(12)16(17)18/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyYUOIEMIWOSAZTQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.97
Rot. Bonds4

About N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine

N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine (PubChem CID 115563832) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
PubChem CID115563832
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC(C)(C)C2)c1
InChIInChI=1S/C14H20N2O4/c1-14(2)9-10(6-7-20-14)15-12-8-11(19-3)4-5-13(12)16(17)18/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyYUOIEMIWOSAZTQ-UHFFFAOYSA-N
XLogP2.97
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.97
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)oxolan-3-amine
CID 80714205
4-[(2,2-dimethyloxan-4-yl)amino]-3-nitrobenzonitrile
CID 78965421
3-(5-methoxy-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630159
N-cyclohex-3-en-1-yl-5-methoxy-2-nitroaniline
CID 79033286
2-ethyl-2-methyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
CID 115912407
2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine
CID 102605268
N-(4-methoxy-2-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230837
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile
CID 83036670
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine (CID 115563832) is N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine is COc1ccc([N+](=O)[O-])c(NC2CCOC(C)(C)C2)c1.
What is the InChIKey of N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine?
The InChIKey is YUOIEMIWOSAZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)9-10(6-7-20-14)15-12-8-11(19-3)4-5-13(12)16(17)18/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine?
N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine has a molecular weight of 280.32 g/mol, XLogP of 2.97, 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)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).