7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

C15H23NO — CID 82159104

IUPAC7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1cc2c(cc1C(C)(C)C)CCCCN2
InChIInChI=1S/C15H23NO/c1-15(2,3)12-9-11-7-5-6-8-16-13(11)10-14(12)17-4/h9-10,16H,5-8H2,1-4H3
InChIKeyBTLPYMCMBFDEDH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.74
Rot. Bonds1

About 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 82159104) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID82159104
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1cc2c(cc1C(C)(C)C)CCCCN2
InChIInChI=1S/C15H23NO/c1-15(2,3)12-9-11-7-5-6-8-16-13(11)10-14(12)17-4/h9-10,16H,5-8H2,1-4H3
InChIKeyBTLPYMCMBFDEDH-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide
CID 146200144
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
7-methoxy-8-methylsulfinyl-2,3,4,5-tetrahydro-1H-1-benzazepine;oxalic acid
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2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
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CID 72710379
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CID 117339402
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
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CID 63970758

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 82159104) is 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine is COc1cc2c(cc1C(C)(C)C)CCCCN2.
What is the InChIKey of 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is BTLPYMCMBFDEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)12-9-11-7-5-6-8-16-13(11)10-14(12)17-4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 233.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 82159104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).