N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine

C15H22N2O4 — CID 63058395

IUPACN-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-20-9-8-16-11-12-6-7-15(14(10-12)17(18)19)21-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3
InChIKeyBEBOFXOATBPTIC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.65
Rot. Bonds8

About N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine

N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine (PubChem CID 63058395) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine
PubChem CID63058395
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-20-9-8-16-11-12-6-7-15(14(10-12)17(18)19)21-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3
InChIKeyBEBOFXOATBPTIC-UHFFFAOYSA-N
XLogP2.65
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.65
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

2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-nitrophenyl]methyl]ethanamine
CID 63057045
N-[[4-[2-(dimethylamino)ethoxy]-3-nitrophenyl]methyl]-2-methoxyethanamine
CID 63055852
N-[[4-(4-methoxybutoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 104646887
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
N-[(3-cyclopentyloxy-4-nitrophenyl)methyl]propan-2-amine
CID 62116751
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
N'-(2-methoxyethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62843985
2-[5-[(2-methoxyethylamino)methyl]-2-nitrophenoxy]ethanol
CID 63060105
N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 107689221
N-[[4-(methoxymethoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 65365601
N-[[4-(cyclobutylmethoxy)-3-nitrophenyl]methyl]ethanamine
CID 65460286
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine (CID 63058395) is N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(OC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine?
The InChIKey is BEBOFXOATBPTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-9-8-16-11-12-6-7-15(14(10-12)17(18)19)21-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3.
What are the key properties of N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine?
N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine has a molecular weight of 294.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63058395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).