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

C12H16ClN — CID 24773814

IUPAC(5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC[C@H]1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-2-9-8-14-6-5-10-3-4-11(13)7-12(9)10/h3-4,7,9,14H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyDNLSOPHLIKCIIV-VIFPVBQESA-N
MW209.72 g/mol
LogP2.98
Rot. Bonds1

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

(5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 24773814) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name(5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID24773814
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC[C@H]1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-2-9-8-14-6-5-10-3-4-11(13)7-12(9)10/h3-4,7,9,14H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyDNLSOPHLIKCIIV-VIFPVBQESA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5R)-7-chloro-5-ethyl-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

Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 24773814) is (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC[C@H]1CNCCc2ccc(Cl)cc21.
What is the InChIKey of (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is DNLSOPHLIKCIIV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-9-8-14-6-5-10-3-4-11(13)7-12(9)10/h3-4,7,9,14H,2,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
(5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 209.72 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-chloro-5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 24773814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).