2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol

C14H20N2O4 — CID 115344969

IUPAC2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
SMILESCOC1CCCC1NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4/c1-20-14-4-2-3-12(14)15-9-13(17)10-5-7-11(8-6-10)16(18)19/h5-8,12-15,17H,2-4,9H2,1H3
InChIKeyIFIPDFMFRIEGSX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.79
Rot. Bonds6

About 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol

2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol (PubChem CID 115344969) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
PubChem CID115344969
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
SMILESCOC1CCCC1NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4/c1-20-14-4-2-3-12(14)15-9-13(17)10-5-7-11(8-6-10)16(18)19/h5-8,12-15,17H,2-4,9H2,1H3
InChIKeyIFIPDFMFRIEGSX-UHFFFAOYSA-N
XLogP1.79
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
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

2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol
CID 106360676
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-nitrophenyl)ethanol
CID 115338787
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide
CID 51716100
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
1-cyclopropyl-2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]ethanol
CID 115344990
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 113220606
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-(4-nitrophenyl)ethanol
CID 81337971
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol (CID 115344969) is 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol is COC1CCCC1NCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol?
The InChIKey is IFIPDFMFRIEGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-14-4-2-3-12(14)15-9-13(17)10-5-7-11(8-6-10)16(18)19/h5-8,12-15,17H,2-4,9H2,1H3.
What are the key properties of 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol?
2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol has a molecular weight of 280.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 115344969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).