2-tert-butyl-1,3-dihydro-2-benzazepine

C14H19N — CID 11008979

IUPAC2-tert-butyl-1,3-dihydro-2-benzazepine
SMILESCC(C)(C)N1CC=Cc2ccccc2C1
InChIInChI=1S/C14H19N/c1-14(2,3)15-10-6-9-12-7-4-5-8-13(12)11-15/h4-9H,10-11H2,1-3H3
InChIKeyQJZLCUVLUQVTTC-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.31
Rot. Bonds

About 2-tert-butyl-1,3-dihydro-2-benzazepine

2-tert-butyl-1,3-dihydro-2-benzazepine (PubChem CID 11008979) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name2-tert-butyl-1,3-dihydro-2-benzazepine
PubChem CID11008979
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-tert-butyl-1,3-dihydro-2-benzazepine
SMILESCC(C)(C)N1CC=Cc2ccccc2C1
InChIInChI=1S/C14H19N/c1-14(2,3)15-10-6-9-12-7-4-5-8-13(12)11-15/h4-9H,10-11H2,1-3H3
InChIKeyQJZLCUVLUQVTTC-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,3-dihydro-2-benzazepine
CID 10898976
2,2-dimethylpropane;1H-indene
CID 91444603
2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
CID 161281450
bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
CID 159374922
2-tert-butyl-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006127
2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium
CID 59218238
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
2-methyl-1H-isoquinoline;hydrochloride
CID 173000656
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
11-tert-butyl-5-[(11-tert-butyl-10,12-dihydrobenzo[b][5,1]benzazabismocin-5-yl)sulfanyl]-10,12-dihydrobenzo[b][5,1]benzazabismocine
CID 138974200
1H-indene;methane
CID 22114429
1H-indene;methane
CID 157370172

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dihydro-2-benzazepine?
The IUPAC name of 2-tert-butyl-1,3-dihydro-2-benzazepine (CID 11008979) is 2-tert-butyl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 2-tert-butyl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 2-tert-butyl-1,3-dihydro-2-benzazepine is CC(C)(C)N1CC=Cc2ccccc2C1.
What is the InChIKey of 2-tert-butyl-1,3-dihydro-2-benzazepine?
The InChIKey is QJZLCUVLUQVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2,3)15-10-6-9-12-7-4-5-8-13(12)11-15/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-dihydro-2-benzazepine?
2-tert-butyl-1,3-dihydro-2-benzazepine has a molecular weight of 201.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 11008979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).