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

C11H15NO2 — CID 170899412

IUPAC8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)COCCC2N
InChIInChI=1S/C11H15NO2/c1-13-9-2-3-10-8(6-9)7-14-5-4-11(10)12/h2-3,6,11H,4-5,7,12H2,1H3
InChIKeyBNMZNFIRALNXBX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds1

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

8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine (PubChem CID 170899412) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine.

Molecular Properties

Compound Name8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
PubChem CID170899412
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)COCCC2N
InChIInChI=1S/C11H15NO2/c1-13-9-2-3-10-8(6-9)7-14-5-4-11(10)12/h2-3,6,11H,4-5,7,12H2,1H3
InChIKeyBNMZNFIRALNXBX-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

4,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 14530781
(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
CID 131221796
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 79369074
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84620622
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223009
6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654435
(4S)-7-(2-methylpropoxy)-3,4-dihydro-1H-isochromen-4-amine
CID 131309092
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine?
The IUPAC name of 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine (CID 170899412) is 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine.
What is the SMILES notation for 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine?
The canonical SMILES for 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine is COc1ccc2c(c1)COCCC2N.
What is the InChIKey of 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine?
The InChIKey is BNMZNFIRALNXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-9-2-3-10-8(6-9)7-14-5-4-11(10)12/h2-3,6,11H,4-5,7,12H2,1H3.
What are the key properties of 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine?
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine has a molecular weight of 193.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine is sourced from PubChem (CID 170899412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).