2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol

C10H17NO2 — CID 144515617

IUPAC2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol
SMILESCNCC1=CC(C)=C(OC)C(O)C1
InChIInChI=1S/C10H17NO2/c1-7-4-8(6-11-2)5-9(12)10(7)13-3/h4,9,11-12H,5-6H2,1-3H3
InChIKeyINUWUXDFWZPIFU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.82
Rot. Bonds3

About 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol

2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 144515617) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID144515617
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol
SMILESCNCC1=CC(C)=C(OC)C(O)C1
InChIInChI=1S/C10H17NO2/c1-7-4-8(6-11-2)5-9(12)10(7)13-3/h4,9,11-12H,5-6H2,1-3H3
InChIKeyINUWUXDFWZPIFU-UHFFFAOYSA-N
XLogP0.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol (CID 144515617) is 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol is CNCC1=CC(C)=C(OC)C(O)C1.
What is the InChIKey of 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is INUWUXDFWZPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-4-8(6-11-2)5-9(12)10(7)13-3/h4,9,11-12H,5-6H2,1-3H3.
What are the key properties of 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol?
2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-(methylaminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 144515617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).