(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine

C9H15NO — CID 141090289

IUPAC(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CC(C)(CN)C1
InChIInChI=1S/C9H15NO/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5H,6-7,10H2,1-2H3
InChIKeyBRYWMLHTMWUYNE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.44
Rot. Bonds2

About (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine

(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 141090289) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID141090289
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CC(C)(CN)C1
InChIInChI=1S/C9H15NO/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5H,6-7,10H2,1-2H3
InChIKeyBRYWMLHTMWUYNE-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-Dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 67926713
(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 68095843
1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 70543022
(2-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 88982778
[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine
CID 162691106

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine (CID 141090289) is (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine is COC1=CC=CC(C)(CN)C1.
What is the InChIKey of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is BRYWMLHTMWUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5H,6-7,10H2,1-2H3.
What are the key properties of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine?
(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 141090289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).