N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine

C11H17NO4 — CID 82684824

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(C(C)NO)cc(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-7,12-13H,1-4H3
InChIKeySLHTYJCARNGJIG-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.75
Rot. Bonds5

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine

N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine (PubChem CID 82684824) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
PubChem CID82684824
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(C(C)NO)cc(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-7,12-13H,1-4H3
InChIKeySLHTYJCARNGJIG-UHFFFAOYSA-N
XLogP1.75
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine (CID 82684824) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine is COc1cc(C(C)NO)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine?
The InChIKey is SLHTYJCARNGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-7,12-13H,1-4H3.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 82684824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).