4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol

C9H15NO2 — CID 138660595

IUPAC4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1C(O)=CC=C(CN)C1C
InChIInChI=1S/C9H15NO2/c1-6-7(5-10)3-4-8(11)9(6)12-2/h3-4,6,9,11H,5,10H2,1-2H3
InChIKeyFRQHLLWPFAHKBV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds2

About 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol

4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 138660595) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID138660595
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1C(O)=CC=C(CN)C1C
InChIInChI=1S/C9H15NO2/c1-6-7(5-10)3-4-8(11)9(6)12-2/h3-4,6,9,11H,5,10H2,1-2H3
InChIKeyFRQHLLWPFAHKBV-UHFFFAOYSA-N
XLogP0.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol (CID 138660595) is 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol is COC1C(O)=CC=C(CN)C1C.
What is the InChIKey of 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is FRQHLLWPFAHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-7(5-10)3-4-8(11)9(6)12-2/h3-4,6,9,11H,5,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol?
4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-methoxy-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 138660595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).