N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine

C11H17NO2 — CID 117110998

IUPACN-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
SMILESCOC(C)(C)c1ccccc1CNO
InChIInChI=1S/C11H17NO2/c1-11(2,14-3)10-7-5-4-6-9(10)8-12-13/h4-7,12-13H,8H2,1-3H3
InChIKeyBRPHUQUUUFGIEK-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.05
Rot. Bonds4

About N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine

N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine (PubChem CID 117110998) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
PubChem CID117110998
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
SMILESCOC(C)(C)c1ccccc1CNO
InChIInChI=1S/C11H17NO2/c1-11(2,14-3)10-7-5-4-6-9(10)8-12-13/h4-7,12-13H,8H2,1-3H3
InChIKeyBRPHUQUUUFGIEK-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(2-methoxypropan-2-yl)phenyl]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

Related Compounds

2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
1-(2-tert-butylphenyl)-N-iodomethanamine
CID 166969969
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N-[2-(2-methoxypropan-2-yl)phenyl]acetamide
CID 12541862
N-[[2-(dimethylamino)phenyl]methyl]hydroxylamine
CID 82597179
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine (CID 117110998) is N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine is COC(C)(C)c1ccccc1CNO.
What is the InChIKey of N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine?
The InChIKey is BRPHUQUUUFGIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,14-3)10-7-5-4-6-9(10)8-12-13/h4-7,12-13H,8H2,1-3H3.
What are the key properties of N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine?
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117110998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).