(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol

C12H16BrNO2 — CID 91457483

IUPAC(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
SMILESCOc1cc2c(cc1Br)CCN(CO)CC2
InChIInChI=1S/C12H16BrNO2/c1-16-12-7-10-3-5-14(8-15)4-2-9(10)6-11(12)13/h6-7,15H,2-5,8H2,1H3
InChIKeyMINGUAVRTLQMRO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.81
Rot. Bonds2

About (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol

(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol (PubChem CID 91457483) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol.

Molecular Properties

Compound Name(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
PubChem CID91457483
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
SMILESCOc1cc2c(cc1Br)CCN(CO)CC2
InChIInChI=1S/C12H16BrNO2/c1-16-12-7-10-3-5-14(8-15)4-2-9(10)6-11(12)13/h6-7,15H,2-5,8H2,1H3
InChIKeyMINGUAVRTLQMRO-UHFFFAOYSA-N
XLogP1.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
(5S)-7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 66905761
7-bromo-8-methoxy-5-methyl-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 10335666
1-[7-bromo-5-(hydroxymethyl)-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
CID 22292783
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 77230927
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
CID 64791802
2-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956831
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
5,11-dibromo-13,15-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
CID 129117919
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161

Frequently Asked Questions

What is the IUPAC name of (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol?
The IUPAC name of (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol (CID 91457483) is (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol.
What is the SMILES notation for (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol?
The canonical SMILES for (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol is COc1cc2c(cc1Br)CCN(CO)CC2.
What is the InChIKey of (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol?
The InChIKey is MINGUAVRTLQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-12-7-10-3-5-14(8-15)4-2-9(10)6-11(12)13/h6-7,15H,2-5,8H2,1H3.
What are the key properties of (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol?
(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol has a molecular weight of 286.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol is sourced from PubChem (CID 91457483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).