O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine

C10H15NO2 — CID 117278815

IUPACO-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(C)cc(CCON)c1
InChIInChI=1S/C10H15NO2/c1-8-5-9(3-4-13-11)7-10(6-8)12-2/h5-7H,3-4,11H2,1-2H3
InChIKeyRLHQWJVHJJQVPH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.44
Rot. Bonds4

About O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine

O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117278815) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117278815
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameO-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(C)cc(CCON)c1
InChIInChI=1S/C10H15NO2/c1-8-5-9(3-4-13-11)7-10(6-8)12-2/h5-7H,3-4,11H2,1-2H3
InChIKeyRLHQWJVHJJQVPH-UHFFFAOYSA-N
XLogP1.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
CID 91216321
1-methoxy-3-methyl-5-(3-methylbutyl)benzene
CID 123700124
1-(2-bromoethyl)-3-methoxy-5-methylbenzene
CID 174367623
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
ethane;1-methoxy-3-methyl-5-propylbenzene;propane
CID 176999731
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
1-methoxy-3-methyl-5-prop-2-ynylbenzene
CID 21060199
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine (CID 117278815) is O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine is COc1cc(C)cc(CCON)c1.
What is the InChIKey of O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is RLHQWJVHJJQVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-5-9(3-4-13-11)7-10(6-8)12-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 181.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117278815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).