6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H19BrFN — CID 63403373

IUPAC6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C18H19BrFN/c19-16-11-12(8-9-17(16)20)10-14-6-3-5-13-4-1-2-7-15(13)18(14)21/h1-2,4,7-9,11,14,18H,3,5-6,10,21H2
InChIKeyOKDZROJZPGCUSL-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.78
Rot. Bonds2

About 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63403373) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63403373
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C18H19BrFN/c19-16-11-12(8-9-17(16)20)10-14-6-3-5-13-4-1-2-7-15(13)18(14)21/h1-2,4,7-9,11,14,18H,3,5-6,10,21H2
InChIKeyOKDZROJZPGCUSL-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

5-bromo-6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470876
6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403688
6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403689
6-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115983185
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
2-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105111247
5-bromo-6-[(3,4-dichlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470691
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
5-bromo-6-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 114857930
5-bromo-6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63471259
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63403373) is 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is OKDZROJZPGCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-16-11-12(8-9-17(16)20)10-14-6-3-5-13-4-1-2-7-15(13)18(14)21/h1-2,4,7-9,11,14,18H,3,5-6,10,21H2.
What are the key properties of 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 348.26 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63403373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).