O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine

C14H21NO2 — CID 117343414

IUPACO-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
SMILESCc1ccc(CCON)c(OCC2CC2)c1C
InChIInChI=1S/C14H21NO2/c1-10-3-6-13(7-8-17-15)14(11(10)2)16-9-12-4-5-12/h3,6,12H,4-5,7-9,15H2,1-2H3
InChIKeyLBTVAYDDOXJFEX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.53
Rot. Bonds6

About O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine

O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine (PubChem CID 117343414) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
PubChem CID117343414
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameO-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
SMILESCc1ccc(CCON)c(OCC2CC2)c1C
InChIInChI=1S/C14H21NO2/c1-10-3-6-13(7-8-17-15)14(11(10)2)16-9-12-4-5-12/h3,6,12H,4-5,7-9,15H2,1-2H3
InChIKeyLBTVAYDDOXJFEX-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine (CID 117343414) is O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine is Cc1ccc(CCON)c(OCC2CC2)c1C.
What is the InChIKey of O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine?
The InChIKey is LBTVAYDDOXJFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-6-13(7-8-17-15)14(11(10)2)16-9-12-4-5-12/h3,6,12H,4-5,7-9,15H2,1-2H3.
What are the key properties of O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine?
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117343414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).