N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine

C13H19NO3 — CID 115004271

IUPACN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1OC1CCCC1
InChIInChI=1S/C13H19NO3/c1-16-13-8-10(9-14-15)6-7-12(13)17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyCUBHKSGAIXNLFG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.50
Rot. Bonds5

About N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine

N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine (PubChem CID 115004271) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
PubChem CID115004271
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)ccc1OC1CCCC1
InChIInChI=1S/C13H19NO3/c1-16-13-8-10(9-14-15)6-7-12(13)17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyCUBHKSGAIXNLFG-UHFFFAOYSA-N
XLogP2.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
1-cyclopentyloxy-4-(isocyanatomethyl)-2-methoxybenzene
CID 117370516
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970170
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959667
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine (CID 115004271) is N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine is COc1cc(CNO)ccc1OC1CCCC1.
What is the InChIKey of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is CUBHKSGAIXNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13-8-10(9-14-15)6-7-12(13)17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3.
What are the key properties of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine?
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 115004271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).