N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride

C17H19ClN2 — CID 135417138

IUPACN-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
SMILESC/N=C1\Nc2ccccc2CCC1c1ccccc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-18-17-15(13-7-3-2-4-8-13)12-11-14-9-5-6-10-16(14)19-17;/h2-10,15H,11-12H2,1H3,(H,18,19);1H
InChIKeyLDVTZRCBLGURKU-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.28
Rot. Bonds1

About N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride

N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride (PubChem CID 135417138) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
PubChem CID135417138
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
SMILESC/N=C1\Nc2ccccc2CCC1c1ccccc1.Cl
InChIInChI=1S/C17H18N2.ClH/c1-18-17-15(13-7-3-2-4-8-13)12-11-14-9-5-6-10-16(14)19-17;/h2-10,15H,11-12H2,1H3,(H,18,19);1H
InChIKeyLDVTZRCBLGURKU-UHFFFAOYSA-N
XLogP4.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The IUPAC name of N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride (CID 135417138) is N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride.
What is the SMILES notation for N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The canonical SMILES for N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride is C/N=C1\Nc2ccccc2CCC1c1ccccc1.Cl.
What is the InChIKey of N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The InChIKey is LDVTZRCBLGURKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-18-17-15(13-7-3-2-4-8-13)12-11-14-9-5-6-10-16(14)19-17;/h2-10,15H,11-12H2,1H3,(H,18,19);1H.
What are the key properties of N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride is sourced from PubChem (CID 135417138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).