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

C11H15NO2 — CID 43153234

IUPAC7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)C(N)CCCO2
InChIInChI=1S/C11H15NO2/c1-13-8-4-5-11-9(7-8)10(12)3-2-6-14-11/h4-5,7,10H,2-3,6,12H2,1H3
InChIKeyZJICGYVMTKPFKF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds1

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

7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43153234) 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-5-amine.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43153234
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)C(N)CCCO2
InChIInChI=1S/C11H15NO2/c1-13-8-4-5-11-9(7-8)10(12)3-2-6-14-11/h4-5,7,10H,2-3,6,12H2,1H3
InChIKeyZJICGYVMTKPFKF-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669851
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669849
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 15619698
6-phenoxy-3,4-dihydro-2H-chromen-4-amine
CID 43155037
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43153234) is 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is COc1ccc2c(c1)C(N)CCCO2.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is ZJICGYVMTKPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-8-4-5-11-9(7-8)10(12)3-2-6-14-11/h4-5,7,10H,2-3,6,12H2,1H3.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 193.25 g/mol, XLogP of 1.87, 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-5-amine is sourced from PubChem (CID 43153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).