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

C16H17ClN2 — CID 103980517

IUPACN-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccccc1NC1CCNCc2ccccc21
InChIInChI=1S/C16H17ClN2/c17-14-7-3-4-8-16(14)19-15-9-10-18-11-12-5-1-2-6-13(12)15/h1-8,15,18-19H,9-11H2
InChIKeyQFKRGVFTBHIWKB-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.99
Rot. Bonds2

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

N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980517) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980517
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC NameN-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccccc1NC1CCNCc2ccccc21
InChIInChI=1S/C16H17ClN2/c17-14-7-3-4-8-16(14)19-15-9-10-18-11-12-5-1-2-6-13(12)15/h1-8,15,18-19H,9-11H2
InChIKeyQFKRGVFTBHIWKB-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980517) is N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is Clc1ccccc1NC1CCNCc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is QFKRGVFTBHIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-7-3-4-8-16(14)19-15-9-10-18-11-12-5-1-2-6-13(12)15/h1-8,15,18-19H,9-11H2.
What are the key properties of N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 272.78 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).