7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine

C18H19BrFN — CID 132501002

IUPAC7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC1(C)CCC(c2cccc(F)c2)Nc2ccc(Br)cc21
InChIInChI=1S/C18H19BrFN/c1-18(2)9-8-16(12-4-3-5-14(20)10-12)21-17-7-6-13(19)11-15(17)18/h3-7,10-11,16,21H,8-9H2,1-2H3
InChIKeyWNEVWVKJOGVXKY-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.81
Rot. Bonds1

About 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine

7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine (PubChem CID 132501002) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
PubChem CID132501002
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC1(C)CCC(c2cccc(F)c2)Nc2ccc(Br)cc21
InChIInChI=1S/C18H19BrFN/c1-18(2)9-8-16(12-4-3-5-14(20)10-12)21-17-7-6-13(19)11-15(17)18/h3-7,10-11,16,21H,8-9H2,1-2H3
InChIKeyWNEVWVKJOGVXKY-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
CID 132501000
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
CID 132500991
(1R,5S)-2,4-bis(3-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10618184
2-[3-[(3-fluorophenyl)sulfonylmethyl]phenyl]-4,4,6-trimethyl-2,3-dihydro-1H-quinoline
CID 161404289
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 116837444
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589821

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The IUPAC name of 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine (CID 132501002) is 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine.
What is the SMILES notation for 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The canonical SMILES for 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine is CC1(C)CCC(c2cccc(F)c2)Nc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The InChIKey is WNEVWVKJOGVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-18(2)9-8-16(12-4-3-5-14(20)10-12)21-17-7-6-13(19)11-15(17)18/h3-7,10-11,16,21H,8-9H2,1-2H3.
What are the key properties of 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine has a molecular weight of 348.26 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-fluorophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine is sourced from PubChem (CID 132501002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).