4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine

C14H20N2O4 — CID 63675702

IUPAC4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
SMILESCCOc1cc(OC2CCC(N)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-2-19-14-9-12(7-8-13(14)16(17)18)20-11-5-3-10(15)4-6-11/h7-11H,2-6,15H2,1H3
InChIKeyFOOXTBXFBJOHNI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds5

About 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine

4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine (PubChem CID 63675702) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
PubChem CID63675702
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
SMILESCCOc1cc(OC2CCC(N)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-2-19-14-9-12(7-8-13(14)16(17)18)20-11-5-3-10(15)4-6-11/h7-11H,2-6,15H2,1H3
InChIKeyFOOXTBXFBJOHNI-UHFFFAOYSA-N
XLogP2.64
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.64
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

4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine
CID 83013173
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
8-(3-ethoxy-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63671678
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
4-(3-ethoxy-4-nitrophenoxy)benzamide
CID 133425253
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
5-(3,4-dimethylcyclohexyl)oxy-2-nitroaniline
CID 106752069
1-cyclopropyl-2-(3-ethoxy-4-nitrophenyl)ethanamine
CID 63677767
3-ethoxy-N-(4-methylcyclohexyl)-4-nitroaniline
CID 63670246
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
CID 63691542

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine (CID 63675702) is 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine is CCOc1cc(OC2CCC(N)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine?
The InChIKey is FOOXTBXFBJOHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-19-14-9-12(7-8-13(14)16(17)18)20-11-5-3-10(15)4-6-11/h7-11H,2-6,15H2,1H3.
What are the key properties of 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine?
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 63675702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).