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

C17H19ClN2 — CID 103980819

IUPACN-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccc(CNC2CCNCc3ccccc32)cc1
InChIInChI=1S/C17H19ClN2/c18-15-7-5-13(6-8-15)11-20-17-9-10-19-12-14-3-1-2-4-16(14)17/h1-8,17,19-20H,9-12H2
InChIKeyUZUMNFXCJGEWBO-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.66
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980819) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980819
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESClc1ccc(CNC2CCNCc3ccccc32)cc1
InChIInChI=1S/C17H19ClN2/c18-15-7-5-13(6-8-15)11-20-17-9-10-19-12-14-3-1-2-4-16(14)17/h1-8,17,19-20H,9-12H2
InChIKeyUZUMNFXCJGEWBO-UHFFFAOYSA-N
XLogP3.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980819) is N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is Clc1ccc(CNC2CCNCc3ccccc32)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is UZUMNFXCJGEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-7-5-13(6-8-15)11-20-17-9-10-19-12-14-3-1-2-4-16(14)17/h1-8,17,19-20H,9-12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 286.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).