5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile

C11H14N2O2 — CID 117294814

IUPAC5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
SMILESCOc1c(C)cc(CCON)cc1C#N
InChIInChI=1S/C11H14N2O2/c1-8-5-9(3-4-15-13)6-10(7-12)11(8)14-2/h5-6H,3-4,13H2,1-2H3
InChIKeyBECISHNBCVYTPZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.31
Rot. Bonds4

About 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile

5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile (PubChem CID 117294814) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile.

Molecular Properties

Compound Name5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
PubChem CID117294814
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
SMILESCOc1c(C)cc(CCON)cc1C#N
InChIInChI=1S/C11H14N2O2/c1-8-5-9(3-4-15-13)6-10(7-12)11(8)14-2/h5-6H,3-4,13H2,1-2H3
InChIKeyBECISHNBCVYTPZ-UHFFFAOYSA-N
XLogP1.31
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
5-(3-aminopropyl)-2-methoxy-3-methylbenzonitrile
CID 117292799
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
4-(2-methoxyethyl)-2-methylbenzonitrile
CID 175288707
5-(aminooxymethyl)-3-hydroxy-2-methoxybenzonitrile
CID 117284338
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
5-(aminooxymethyl)-2,3-dimethylbenzonitrile
CID 117277341
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294769
5-(2-aminooxyethyl)-4-hydroxy-2-methoxybenzonitrile
CID 117297311
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
5-(aminomethyl)-2,3-dimethoxybenzonitrile
CID 117282956

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile?
The IUPAC name of 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile (CID 117294814) is 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile.
What is the SMILES notation for 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile?
The canonical SMILES for 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile is COc1c(C)cc(CCON)cc1C#N.
What is the InChIKey of 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile?
The InChIKey is BECISHNBCVYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-5-9(3-4-15-13)6-10(7-12)11(8)14-2/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile?
5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile is sourced from PubChem (CID 117294814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).