11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine

C24H25N — CID 22085698

IUPAC11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESCCC(C)c1ccc(N2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C24H25N/c1-3-18(2)19-14-16-22(17-15-19)25-23-10-6-4-8-20(23)12-13-21-9-5-7-11-24(21)25/h4-11,14-18H,3,12-13H2,1-2H3
InChIKeyFCEUCTHHPZMCCO-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.77
Rot. Bonds3

About 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine

11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 22085698) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID22085698
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESCCC(C)c1ccc(N2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C24H25N/c1-3-18(2)19-14-16-22(17-15-19)25-23-10-6-4-8-20(23)12-13-21-9-5-7-11-24(21)25/h4-11,14-18H,3,12-13H2,1-2H3
InChIKeyFCEUCTHHPZMCCO-UHFFFAOYSA-N
XLogP6.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)aniline
CID 59935116
N-(4-butan-2-ylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686743
10-(4-ethylphenyl)-9H-acridine
CID 131970743
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
1-[4-[(2R)-butan-2-yl]phenyl]-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea
CID 29057476
10-[4-[4-[6-(4-butan-2-ylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187506
N-(4-butan-2-ylphenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78899808
[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-trimethylsilylanthracen-9-yl]-trimethylsilane
CID 59220657
(4-butan-2-ylphenyl)azanium chloride
CID 91157612
N-(4-butan-2-ylphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 17283940
1-(4-butan-2-ylphenyl)-2-methyl-5-phenylpyrrole
CID 4763664
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558

Frequently Asked Questions

What is the IUPAC name of 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine (CID 22085698) is 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine is CCC(C)c1ccc(N2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is FCEUCTHHPZMCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-3-18(2)19-14-16-22(17-15-19)25-23-10-6-4-8-20(23)12-13-21-9-5-7-11-24(21)25/h4-11,14-18H,3,12-13H2,1-2H3.
What are the key properties of 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 327.47 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-butan-2-ylphenyl)-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 22085698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).