N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C16H16BrClN2 — CID 103982072

IUPACN-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccc(Br)cc1NC1CCNCc2ccccc21
InChIInChI=1S/C16H16BrClN2/c17-12-5-6-14(18)16(9-12)20-15-7-8-19-10-11-3-1-2-4-13(11)15/h1-6,9,15,19-20H,7-8,10H2
InChIKeySQPMQZFJCIXTMH-UHFFFAOYSA-N
MW351.68 g/mol
LogP4.75
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982072) has the molecular formula C16H16BrClN2 and a molecular weight of 351.68 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982072
Molecular FormulaC16H16BrClN2
Molecular Weight351.68 g/mol
Exact Mass350.02
IUPAC NameN-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccc(Br)cc1NC1CCNCc2ccccc21
InChIInChI=1S/C16H16BrClN2/c17-12-5-6-14(18)16(9-12)20-15-7-8-19-10-11-3-1-2-4-13(11)15/h1-6,9,15,19-20H,7-8,10H2
InChIKeySQPMQZFJCIXTMH-UHFFFAOYSA-N
XLogP4.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.68
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
2,5-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)phenol
CID 106953979
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981009
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982072) is N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is Clc1ccc(Br)cc1NC1CCNCc2ccccc21.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is SQPMQZFJCIXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2/c17-12-5-6-14(18)16(9-12)20-15-7-8-19-10-11-3-1-2-4-13(11)15/h1-6,9,15,19-20H,7-8,10H2.
What are the key properties of N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 351.68 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).