2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine

C15H22N2O4 — CID 102633182

IUPAC2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C15H22N2O4/c1-16-13-5-3-4-6-15(13)21-10-11-9-12(17(18)19)7-8-14(11)20-2/h7-9,13,15-16H,3-6,10H2,1-2H3
InChIKeyCRQBERVCZWAMCQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.65
Rot. Bonds6

About 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine

2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 102633182) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID102633182
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C15H22N2O4/c1-16-13-5-3-4-6-15(13)21-10-11-9-12(17(18)19)7-8-14(11)20-2/h7-9,13,15-16H,3-6,10H2,1-2H3
InChIKeyCRQBERVCZWAMCQ-UHFFFAOYSA-N
XLogP2.65
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine (CID 102633182) is 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1OCc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is CRQBERVCZWAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16-13-5-3-4-6-15(13)21-10-11-9-12(17(18)19)7-8-14(11)20-2/h7-9,13,15-16H,3-6,10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine?
2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).