N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine

C20H23NO3 — CID 14971276

IUPACN-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine
SMILESCC(C)(C)c1ccc(Oc2ccc3c(c2)C=C(CNO)CO3)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-4-6-17(7-5-16)24-18-8-9-19-15(11-18)10-14(12-21-22)13-23-19/h4-11,21-22H,12-13H2,1-3H3
InChIKeyKSDQXCFTJSMNFW-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.53
Rot. Bonds4

About N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine

N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine (PubChem CID 14971276) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine
PubChem CID14971276
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine
SMILESCC(C)(C)c1ccc(Oc2ccc3c(c2)C=C(CNO)CO3)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-4-6-17(7-5-16)24-18-8-9-19-15(11-18)10-14(12-21-22)13-23-19/h4-11,21-22H,12-13H2,1-3H3
InChIKeyKSDQXCFTJSMNFW-UHFFFAOYSA-N
XLogP4.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine?
The IUPAC name of N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine (CID 14971276) is N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine is CC(C)(C)c1ccc(Oc2ccc3c(c2)C=C(CNO)CO3)cc1.
What is the InChIKey of N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine?
The InChIKey is KSDQXCFTJSMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)16-4-6-17(7-5-16)24-18-8-9-19-15(11-18)10-14(12-21-22)13-23-19/h4-11,21-22H,12-13H2,1-3H3.
What are the key properties of N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine?
N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine has a molecular weight of 325.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 14971276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).