3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine

C14H20N2O4 — CID 83013173

IUPAC3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine
SMILESCC(C)Oc1cc(OC2CCC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-9(2)19-14-8-12(5-6-13(14)16(17)18)20-11-4-3-10(15)7-11/h5-6,8-11H,3-4,7,15H2,1-2H3
InChIKeyFACWNCPTIMPCAZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds5

About 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine

3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine (PubChem CID 83013173) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine
PubChem CID83013173
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine
SMILESCC(C)Oc1cc(OC2CCC(N)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-9(2)19-14-8-12(5-6-13(14)16(17)18)20-11-4-3-10(15)7-11/h5-6,8-11H,3-4,7,15H2,1-2H3
InChIKeyFACWNCPTIMPCAZ-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

(3S)-3-(4-nitro-3-propan-2-yloxyphenoxy)piperidine
CID 83013093
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
5-(3,4-dimethylcyclohexyl)oxy-2-nitroaniline
CID 106752069
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321
N-methyl-2-(4-nitro-3-propan-2-yloxyphenoxy)ethanamine
CID 83013249
(1R,5S)-8-methyl-3-(3-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
CID 68939464
4-nitro-3-propan-2-yloxybenzenesulfonamide
CID 83012857
(4-nitro-3-propan-2-yloxyphenyl)hydrazine
CID 83002210
3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
CID 83003295
3-(3-fluoro-5-nitrophenoxy)cyclopentan-1-amine
CID 79465301
3-(5-bromo-4-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 116739740

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine?
The IUPAC name of 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine (CID 83013173) is 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine is CC(C)Oc1cc(OC2CCC(N)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine?
The InChIKey is FACWNCPTIMPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)19-14-8-12(5-6-13(14)16(17)18)20-11-4-3-10(15)7-11/h5-6,8-11H,3-4,7,15H2,1-2H3.
What are the key properties of 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine?
3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-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 3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 83013173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).