N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine

C14H20BrNO2 — CID 58113219

IUPACN-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine
SMILESC=C(C)C(NO)c1ccccc1COC(C)(C)Br
InChIInChI=1S/C14H20BrNO2/c1-10(2)13(16-17)12-8-6-5-7-11(12)9-18-14(3,4)15/h5-8,13,16-17H,1,9H2,2-4H3
InChIKeyUGCMQBVKFGJUTR-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.93
Rot. Bonds6

About N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine

N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine (PubChem CID 58113219) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine
PubChem CID58113219
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine
SMILESC=C(C)C(NO)c1ccccc1COC(C)(C)Br
InChIInChI=1S/C14H20BrNO2/c1-10(2)13(16-17)12-8-6-5-7-11(12)9-18-14(3,4)15/h5-8,13,16-17H,1,9H2,2-4H3
InChIKeyUGCMQBVKFGJUTR-UHFFFAOYSA-N
XLogP3.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine?
The IUPAC name of N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine (CID 58113219) is N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine?
The canonical SMILES for N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine is C=C(C)C(NO)c1ccccc1COC(C)(C)Br.
What is the InChIKey of N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine?
The InChIKey is UGCMQBVKFGJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)13(16-17)12-8-6-5-7-11(12)9-18-14(3,4)15/h5-8,13,16-17H,1,9H2,2-4H3.
What are the key properties of N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine?
N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine has a molecular weight of 314.22 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-bromopropan-2-yloxymethyl)phenyl]-2-methylprop-2-enyl]hydroxylamine is sourced from PubChem (CID 58113219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).