7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde

C12H15NO2 — CID 175293128

IUPAC7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde
SMILESCOc1ccc2c(c1)CCCNC2C=O
InChIInChI=1S/C12H15NO2/c1-15-10-4-5-11-9(7-10)3-2-6-13-12(11)8-14/h4-5,7-8,12-13H,2-3,6H2,1H3
InChIKeyOFJOAALACBYAQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds2

About 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde

7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde (PubChem CID 175293128) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde
PubChem CID175293128
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde
SMILESCOc1ccc2c(c1)CCCNC2C=O
InChIInChI=1S/C12H15NO2/c1-15-10-4-5-11-9(7-10)3-2-6-13-12(11)8-14/h4-5,7-8,12-13H,2-3,6H2,1H3
InChIKeyOFJOAALACBYAQC-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 131988987
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 88671274
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 23128327
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
(4aS,7aS)-6-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678805
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde (CID 175293128) is 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde is COc1ccc2c(c1)CCCNC2C=O.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde?
The InChIKey is OFJOAALACBYAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-10-4-5-11-9(7-10)3-2-6-13-12(11)8-14/h4-5,7-8,12-13H,2-3,6H2,1H3.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde?
7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.47, 2 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-1H-2-benzazepine-1-carbaldehyde is sourced from PubChem (CID 175293128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).