8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

C11H14BrN — CID 84728011

IUPAC8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCC1CCc2ccc(Br)cc2NC1
InChIInChI=1S/C11H14BrN/c1-8-2-3-9-4-5-10(12)6-11(9)13-7-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyWAKKYOPJVYDETI-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.44
Rot. Bonds

About 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 84728011) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID84728011
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCC1CCc2ccc(Br)cc2NC1
InChIInChI=1S/C11H14BrN/c1-8-2-3-9-4-5-10(12)6-11(9)13-7-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyWAKKYOPJVYDETI-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 70875781
6-bromo-2,3-dihydro-1H-indole
CID 13098379
(3S)-7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 125424444
(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 126662449
8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654802
(3S)-8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654800
(2S)-6-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 99716164
6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 58296529
7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095634
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
7-bromo-5-methyl-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 86041696

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 84728011) is 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is CC1CCc2ccc(Br)cc2NC1.
What is the InChIKey of 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is WAKKYOPJVYDETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-2-3-9-4-5-10(12)6-11(9)13-7-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 240.14 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 84728011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).