1-chloro-5H-2-benzazepine;ethane

C12H14ClN — CID 143080162

IUPAC1-chloro-5H-2-benzazepine;ethane
SMILESCC.ClC1=NC=CCc2ccccc21
InChIInChI=1S/C10H8ClN.C2H6/c11-10-9-6-2-1-4-8(9)5-3-7-12-10;1-2/h1-4,6-7H,5H2;1-2H3
InChIKeyCRQWPVSIBSLQGP-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.77
Rot. Bonds

About 1-chloro-5H-2-benzazepine;ethane

1-chloro-5H-2-benzazepine;ethane (PubChem CID 143080162) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-chloro-5H-2-benzazepine;ethane.

Molecular Properties

Compound Name1-chloro-5H-2-benzazepine;ethane
PubChem CID143080162
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-chloro-5H-2-benzazepine;ethane
SMILESCC.ClC1=NC=CCc2ccccc21
InChIInChI=1S/C10H8ClN.C2H6/c11-10-9-6-2-1-4-8(9)5-3-7-12-10;1-2/h1-4,6-7H,5H2;1-2H3
InChIKeyCRQWPVSIBSLQGP-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-5H-2-benzazepine;ethane 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 1-chloro-5H-2-benzazepine;ethane?
The IUPAC name of 1-chloro-5H-2-benzazepine;ethane (CID 143080162) is 1-chloro-5H-2-benzazepine;ethane.
What is the SMILES notation for 1-chloro-5H-2-benzazepine;ethane?
The canonical SMILES for 1-chloro-5H-2-benzazepine;ethane is CC.ClC1=NC=CCc2ccccc21.
What is the InChIKey of 1-chloro-5H-2-benzazepine;ethane?
The InChIKey is CRQWPVSIBSLQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN.C2H6/c11-10-9-6-2-1-4-8(9)5-3-7-12-10;1-2/h1-4,6-7H,5H2;1-2H3.
What are the key properties of 1-chloro-5H-2-benzazepine;ethane?
1-chloro-5H-2-benzazepine;ethane has a molecular weight of 207.70 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5H-2-benzazepine;ethane is sourced from PubChem (CID 143080162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).