8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

C11H15NO — CID 82410402

IUPAC8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESCc1ccc2c(c1)OCCC(N)C2
InChIInChI=1S/C11H15NO/c1-8-2-3-9-7-10(12)4-5-13-11(9)6-8/h2-3,6,10H,4-5,7,12H2,1H3
InChIKeyJNUCBBSOGPCGIW-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.65
Rot. Bonds

About 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (PubChem CID 82410402) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.

Molecular Properties

Compound Name8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
PubChem CID82410402
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESCc1ccc2c(c1)OCCC(N)C2
InChIInChI=1S/C11H15NO/c1-8-2-3-9-7-10(12)4-5-13-11(9)6-8/h2-3,6,10H,4-5,7,12H2,1H3
InChIKeyJNUCBBSOGPCGIW-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The IUPAC name of 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (CID 82410402) is 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.
What is the SMILES notation for 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The canonical SMILES for 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is Cc1ccc2c(c1)OCCC(N)C2.
What is the InChIKey of 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The InChIKey is JNUCBBSOGPCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-2-3-9-7-10(12)4-5-13-11(9)6-8/h2-3,6,10H,4-5,7,12H2,1H3.
What are the key properties of 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is sourced from PubChem (CID 82410402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).