7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

C11H15NO2 — CID 82605158

IUPAC7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESCOc1ccc2c(c1)CC(N)CCO2
InChIInChI=1S/C11H15NO2/c1-13-10-2-3-11-8(7-10)6-9(12)4-5-14-11/h2-3,7,9H,4-6,12H2,1H3
InChIKeyUJQFTKGYTPMNCX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds1

About 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (PubChem CID 82605158) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
PubChem CID82605158
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESCOc1ccc2c(c1)CC(N)CCO2
InChIInChI=1S/C11H15NO2/c1-13-10-2-3-11-8(7-10)6-9(12)4-5-14-11/h2-3,7,9H,4-6,12H2,1H3
InChIKeyUJQFTKGYTPMNCX-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (CID 82605158) is 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is COc1ccc2c(c1)CC(N)CCO2.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The InChIKey is UJQFTKGYTPMNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-10-2-3-11-8(7-10)6-9(12)4-5-14-11/h2-3,7,9H,4-6,12H2,1H3.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is sourced from PubChem (CID 82605158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).