11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine

C15H14IN — CID 168986255

IUPAC11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine
SMILESCc1ccc2c(c1)N(I)c1ccccc1CC2
InChIInChI=1S/C15H14IN/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)17(16)15(13)10-11/h2-7,10H,8-9H2,1H3
InChIKeyHFLANMOIZWZQCB-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.58
Rot. Bonds

About 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine

11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 168986255) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID168986255
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine
SMILESCc1ccc2c(c1)N(I)c1ccccc1CC2
InChIInChI=1S/C15H14IN/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)17(16)15(13)10-11/h2-7,10H,8-9H2,1H3
InChIKeyHFLANMOIZWZQCB-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
CID 23287877
3-methyl-11-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572810
4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 143076291
1,6-dimethyl-2,3-dihydroindole
CID 59833304
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63516991
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
1-iodo-5-methyl-2,3-dihydroindole
CID 134548249
3-methyl-9,10-dihydroacridine
CID 15076518
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268

Frequently Asked Questions

What is the IUPAC name of 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine (CID 168986255) is 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine is Cc1ccc2c(c1)N(I)c1ccccc1CC2.
What is the InChIKey of 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is HFLANMOIZWZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)17(16)15(13)10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine?
11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 335.19 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-iodo-2-methyl-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 168986255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).