(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

C16H19ClN2 — CID 69445353

IUPAC(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESC[C@@H]1CNCCc2ccc(-c3ccccn3)cc21.Cl
InChIInChI=1S/C16H18N2.ClH/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16;/h2-6,8,10,12,17H,7,9,11H2,1H3;1H/t12-;/m1./s1
InChIKeySILMKDHIMWEZFO-UTONKHPSSA-N
MW274.79 g/mol
LogP3.42
Rot. Bonds1

About (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (PubChem CID 69445353) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
PubChem CID69445353
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESC[C@@H]1CNCCc2ccc(-c3ccccn3)cc21.Cl
InChIInChI=1S/C16H18N2.ClH/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16;/h2-6,8,10,12,17H,7,9,11H2,1H3;1H/t12-;/m1./s1
InChIKeySILMKDHIMWEZFO-UTONKHPSSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The IUPAC name of (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (CID 69445353) is (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.
What is the SMILES notation for (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The canonical SMILES for (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is C[C@@H]1CNCCc2ccc(-c3ccccn3)cc21.Cl.
What is the InChIKey of (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The InChIKey is SILMKDHIMWEZFO-UTONKHPSSA-N. The full InChI is InChI=1S/C16H18N2.ClH/c1-12-11-17-9-7-13-5-6-14(10-15(12)13)16-4-2-3-8-18-16;/h2-6,8,10,12,17H,7,9,11H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is sourced from PubChem (CID 69445353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).