8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

C15H22FN — CID 114834413

IUPAC8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC(C)CC1NCC(C)Cc2ccc(F)cc21
InChIInChI=1S/C15H22FN/c1-10(2)6-15-14-8-13(16)5-4-12(14)7-11(3)9-17-15/h4-5,8,10-11,15,17H,6-7,9H2,1-3H3
InChIKeyDCHKIXVLEHFSLN-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.69
Rot. Bonds2

About 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 114834413) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID114834413
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC(C)CC1NCC(C)Cc2ccc(F)cc21
InChIInChI=1S/C15H22FN/c1-10(2)6-15-14-8-13(16)5-4-12(14)7-11(3)9-17-15/h4-5,8,10-11,15,17H,6-7,9H2,1-3H3
InChIKeyDCHKIXVLEHFSLN-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64687610
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
2-(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 112716066
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 11287190
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114834283
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 119086128
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
6-fluoro-2-methyl-N-(2-methylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 115716856

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 114834413) is 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is CC(C)CC1NCC(C)Cc2ccc(F)cc21.
What is the InChIKey of 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is DCHKIXVLEHFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)6-15-14-8-13(16)5-4-12(14)7-11(3)9-17-15/h4-5,8,10-11,15,17H,6-7,9H2,1-3H3.
What are the key properties of 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 235.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 114834413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).