O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine

C13H21NO2 — CID 117111409

IUPACO-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOCC(C)(C)c1cccc(CCON)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-15-3)12-6-4-5-11(9-12)7-8-16-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyKTPJDTUQUQBXHF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds6

About O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine

O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117111409) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
PubChem CID117111409
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameO-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOCC(C)(C)c1cccc(CCON)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-15-3)12-6-4-5-11(9-12)7-8-16-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyKTPJDTUQUQBXHF-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]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

3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
3-(2-aminooxyethyl)phenol
CID 83479668
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene
CID 134343942
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
CID 67062828

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine (CID 117111409) is O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine is COCC(C)(C)c1cccc(CCON)c1.
What is the InChIKey of O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is KTPJDTUQUQBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,10-15-3)12-6-4-5-11(9-12)7-8-16-14/h4-6,9H,7-8,10,14H2,1-3H3.
What are the key properties of O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 223.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117111409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).