7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine

C20H25NO — CID 143684921

IUPAC7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESC1=Cc2ccccc2C=CC1.CNC1=CCC(C)C(OC)=C1
InChIInChI=1S/C11H10.C9H15NO/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-7-4-5-8(10-2)6-9(7)11-3/h2-9H,1H2;5-7,10H,4H2,1-3H3
InChIKeyMXEKTKCDVWQFKG-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.78
Rot. Bonds2

About 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine

7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 143684921) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID143684921
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESC1=Cc2ccccc2C=CC1.CNC1=CCC(C)C(OC)=C1
InChIInChI=1S/C11H10.C9H15NO/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-7-4-5-8(10-2)6-9(7)11-3/h2-9H,1H2;5-7,10H,4H2,1-3H3
InChIKeyMXEKTKCDVWQFKG-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-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 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine (CID 143684921) is 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine is C1=Cc2ccccc2C=CC1.CNC1=CCC(C)C(OC)=C1.
What is the InChIKey of 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is MXEKTKCDVWQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C9H15NO/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-7-4-5-8(10-2)6-9(7)11-3/h2-9H,1H2;5-7,10H,4H2,1-3H3.
What are the key properties of 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine?
7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[7]annulene;5-methoxy-N,4-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143684921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).