2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine

C14H20N2O4 — CID 62086600

IUPAC2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4/c1-19-14-4-2-3-13(14)15-9-10-20-12-7-5-11(6-8-12)16(17)18/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyBLNWYFLFZXTAPX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.13
Rot. Bonds7

About 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine

2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine (PubChem CID 62086600) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
PubChem CID62086600
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O4/c1-19-14-4-2-3-13(14)15-9-10-20-12-7-5-11(6-8-12)16(17)18/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyBLNWYFLFZXTAPX-UHFFFAOYSA-N
XLogP2.13
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
CID 115344969
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 63828920
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
CID 83014373
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
N-[(1-methylcyclopentyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 63823349

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine (CID 62086600) is 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine is COC1CCCC1NCCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is BLNWYFLFZXTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-14-4-2-3-13(14)15-9-10-20-12-7-5-11(6-8-12)16(17)18/h5-8,13-15H,2-4,9-10H2,1H3.
What are the key properties of 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine?
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 62086600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).