(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C11H14ClN — CID 11658860

💊View drug profile → lorcaserin
IUPAC(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESC[C@H]1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyXTTZERNUQAFMOF-QMMMGPOBSA-N
MW195.69 g/mol
LogP2.59
Rot. Bonds

About (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11658860) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11658860
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESC[C@H]1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyXTTZERNUQAFMOF-QMMMGPOBSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 185717
Skf 86466
CID 123981
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 121938
Lorcaserin Hydrochloride
CID 11673085
[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
Benalfocin hydrochloride
CID 10220250
2-Chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene
CID 125570
6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 9813197
4-Chloro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9816020
p-Chloromethamphetamine
CID 3128
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750

Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11658860) is (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is C[C@H]1CNCCc2ccc(Cl)cc21.
What is the InChIKey of (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is XTTZERNUQAFMOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 195.69 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11658860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).