N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine

C16H24N2O3 — CID 56569942

IUPACN-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCOc1ccccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C16H24N2O3/c1-13(2)17(14-7-3-4-8-14)11-12-21-16-10-6-5-9-15(16)18(19)20/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3
InChIKeyRTUMVTGGLYJBLN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine

N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine (PubChem CID 56569942) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine
PubChem CID56569942
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCOc1ccccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C16H24N2O3/c1-13(2)17(14-7-3-4-8-14)11-12-21-16-10-6-5-9-15(16)18(19)20/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3
InChIKeyRTUMVTGGLYJBLN-UHFFFAOYSA-N
XLogP3.63
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
2-butoxy-N,N-bis[2-(2-nitrophenoxy)ethyl]ethanamine
CID 10789581
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
CID 60509442
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
trimethyl-[3-(2-nitrophenoxy)propyl]azanium
CID 57430028
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-methyl-1-(2-nitrophenoxy)piperidine
CID 12720965
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
CID 119918903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine (CID 56569942) is N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine is CC(C)N(CCOc1ccccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is RTUMVTGGLYJBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)17(14-7-3-4-8-14)11-12-21-16-10-6-5-9-15(16)18(19)20/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine?
N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 292.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 56569942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).