2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine

C9H15NO — CID 137427644

IUPAC2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(C)C=C1OC
InChIInChI=1S/C9H15NO/c1-7-4-5-8(10-2)9(6-7)11-3/h4,6,8,10H,5H2,1-3H3
InChIKeyYOZVODSGTVREJA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.45
Rot. Bonds2

About 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine

2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 137427644) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID137427644
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(C)C=C1OC
InChIInChI=1S/C9H15NO/c1-7-4-5-8(10-2)9(6-7)11-3/h4,6,8,10H,5H2,1-3H3
InChIKeyYOZVODSGTVREJA-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine (CID 137427644) is 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine is CNC1CC=C(C)C=C1OC.
What is the InChIKey of 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is YOZVODSGTVREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(10-2)9(6-7)11-3/h4,6,8,10H,5H2,1-3H3.
What are the key properties of 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine?
2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 137427644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).