[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol

C14H20N2O4 — CID 62518469

IUPAC[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCNC2(CO)CCCC2)cc1
InChIInChI=1S/C14H20N2O4/c17-11-14(7-1-2-8-14)15-9-10-20-13-5-3-12(4-6-13)16(18)19/h3-6,15,17H,1-2,7-11H2
InChIKeyJTKAVZFQHJMUEJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.87
Rot. Bonds7

About [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol

[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol (PubChem CID 62518469) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
PubChem CID62518469
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCNC2(CO)CCCC2)cc1
InChIInChI=1S/C14H20N2O4/c17-11-14(7-1-2-8-14)15-9-10-20-13-5-3-12(4-6-13)16(18)19/h3-6,15,17H,1-2,7-11H2
InChIKeyJTKAVZFQHJMUEJ-UHFFFAOYSA-N
XLogP1.87
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 63823349
N-[2-(4-nitrophenoxy)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212599
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
CID 83014373
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
4-[[2-(4-nitrophenoxy)ethylamino]methyl]oxan-4-ol
CID 81133606
2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol?
The IUPAC name of [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol (CID 62518469) is [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol is O=[N+]([O-])c1ccc(OCCNC2(CO)CCCC2)cc1.
What is the InChIKey of [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol?
The InChIKey is JTKAVZFQHJMUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-11-14(7-1-2-8-14)15-9-10-20-13-5-3-12(4-6-13)16(18)19/h3-6,15,17H,1-2,7-11H2.
What are the key properties of [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol?
[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol has a molecular weight of 280.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 62518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).