4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine

C9H15NO — CID 166779740

IUPAC4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine
SMILESCOC1=CC=C(C)NC(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11-3)6-8(2)10-7/h4-5,8,10H,6H2,1-3H3
InChIKeyAVMAQIFPDBRDCX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds1

About 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine

4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine (PubChem CID 166779740) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine.

Molecular Properties

Compound Name4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine
PubChem CID166779740
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine
SMILESCOC1=CC=C(C)NC(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11-3)6-8(2)10-7/h4-5,8,10H,6H2,1-3H3
InChIKeyAVMAQIFPDBRDCX-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine?
The IUPAC name of 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine (CID 166779740) is 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine.
What is the SMILES notation for 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine?
The canonical SMILES for 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine is COC1=CC=C(C)NC(C)C1.
What is the InChIKey of 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine?
The InChIKey is AVMAQIFPDBRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-9(11-3)6-8(2)10-7/h4-5,8,10H,6H2,1-3H3.
What are the key properties of 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine?
4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine is sourced from PubChem (CID 166779740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).