(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine

C19H20IN — CID 156531521

IUPAC(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine
SMILESC/C1=C/c2ccccc2N(C(C)(C)I)Cc2ccccc21
InChIInChI=1S/C19H20IN/c1-14-12-15-8-5-7-11-18(15)21(19(2,3)20)13-16-9-4-6-10-17(14)16/h4-12H,13H2,1-3H3/b14-12-
InChIKeyNKJGBQSJYVQLLM-OWBHPGMISA-N
MW389.28 g/mol
LogP5.74
Rot. Bonds1

About (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine

(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine (PubChem CID 156531521) has the molecular formula C19H20IN and a molecular weight of 389.28 g/mol. Its IUPAC name is (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine.

Molecular Properties

Compound Name(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine
PubChem CID156531521
Molecular FormulaC19H20IN
Molecular Weight389.28 g/mol
Exact Mass389.06
IUPAC Name(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine
SMILESC/C1=C/c2ccccc2N(C(C)(C)I)Cc2ccccc21
InChIInChI=1S/C19H20IN/c1-14-12-15-8-5-7-11-18(15)21(19(2,3)20)13-16-9-4-6-10-17(14)16/h4-12H,13H2,1-3H3/b14-12-
InChIKeyNKJGBQSJYVQLLM-OWBHPGMISA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine 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

(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine
CID 139337778
(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
CID 139445224
1-tert-butyl-2H-quinolin-3-amine
CID 169302716
2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
CID 11172771
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3H-isoindol-1-one
CID 159104675
2-(2-methylpentan-2-yl)-3H-isoindol-1-one
CID 142695069
6-methyl-11H-pyrrolo[1,2-b][2]benzazepine
CID 14612759
3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
ditert-butyl(1H-inden-2-yl)phosphane
CID 21095963
ethane;2-methyl-1H-indene
CID 54388135
2-tert-butyl-1H-indene;zirconium
CID 159357994
5-hydroxy-6H-phenanthridine
CID 89177701

Frequently Asked Questions

What is the IUPAC name of (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine?
The IUPAC name of (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine (CID 156531521) is (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine.
What is the SMILES notation for (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine?
The canonical SMILES for (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine is C/C1=C/c2ccccc2N(C(C)(C)I)Cc2ccccc21.
What is the InChIKey of (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine?
The InChIKey is NKJGBQSJYVQLLM-OWBHPGMISA-N. The full InChI is InChI=1S/C19H20IN/c1-14-12-15-8-5-7-11-18(15)21(19(2,3)20)13-16-9-4-6-10-17(14)16/h4-12H,13H2,1-3H3/b14-12-.
What are the key properties of (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine?
(11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine has a molecular weight of 389.28 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-5-(2-iodopropan-2-yl)-11-methyl-6H-benzo[c][1]benzazocine is sourced from PubChem (CID 156531521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).