7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol

C12H17NO2 — CID 122468703

IUPAC7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
SMILESCOc1ccc2c(c1)C(O)CN(C)CC2
InChIInChI=1S/C12H17NO2/c1-13-6-5-9-3-4-10(15-2)7-11(9)12(14)8-13/h3-4,7,12,14H,5-6,8H2,1-2H3
InChIKeyYIAWCAPDWLNWED-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.22
Rot. Bonds1

About 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol

7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol (PubChem CID 122468703) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol.

Molecular Properties

Compound Name7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
PubChem CID122468703
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
SMILESCOc1ccc2c(c1)C(O)CN(C)CC2
InChIInChI=1S/C12H17NO2/c1-13-6-5-9-3-4-10(15-2)7-11(9)12(14)8-13/h3-4,7,12,14H,5-6,8H2,1-2H3
InChIKeyYIAWCAPDWLNWED-UHFFFAOYSA-N
XLogP1.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)aniline
CID 68734998
4-[(5S)-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]aniline
CID 129389241
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
6-methoxy-2-(2-sulfanylethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 144821041
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butanoic acid
CID 116995784
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995782
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995834

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol?
The IUPAC name of 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol (CID 122468703) is 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol.
What is the SMILES notation for 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol?
The canonical SMILES for 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol is COc1ccc2c(c1)C(O)CN(C)CC2.
What is the InChIKey of 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol?
The InChIKey is YIAWCAPDWLNWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-6-5-9-3-4-10(15-2)7-11(9)12(14)8-13/h3-4,7,12,14H,5-6,8H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol?
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol has a molecular weight of 207.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol is sourced from PubChem (CID 122468703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).