N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine

C15H24N2O2 — CID 156878233

IUPACN-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine
SMILESCC(C)c1ccc(NO)c(N(C)C2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-4-5-14(16-18)15(10-12)17(3)13-6-8-19-9-7-13/h4-5,10-11,13,16,18H,6-9H2,1-3H3
InChIKeyPXOVKYOBNRHUHX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.23
Rot. Bonds4

About N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine

N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine (PubChem CID 156878233) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine
PubChem CID156878233
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine
SMILESCC(C)c1ccc(NO)c(N(C)C2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-4-5-14(16-18)15(10-12)17(3)13-6-8-19-9-7-13/h4-5,10-11,13,16,18H,6-9H2,1-3H3
InChIKeyPXOVKYOBNRHUHX-UHFFFAOYSA-N
XLogP3.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine?
The IUPAC name of N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine (CID 156878233) is N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine.
What is the SMILES notation for N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine?
The canonical SMILES for N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine is CC(C)c1ccc(NO)c(N(C)C2CCOCC2)c1.
What is the InChIKey of N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine?
The InChIKey is PXOVKYOBNRHUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)12-4-5-14(16-18)15(10-12)17(3)13-6-8-19-9-7-13/h4-5,10-11,13,16,18H,6-9H2,1-3H3.
What are the key properties of N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine?
N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine has a molecular weight of 264.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine is sourced from PubChem (CID 156878233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).