6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H19BrFN — CID 63403688

IUPAC6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C18H19BrFN/c19-17-9-8-15(20)11-14(17)10-13-6-3-5-12-4-1-2-7-16(12)18(13)21/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2
InChIKeyIYAXATCJPLEDLZ-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.78
Rot. Bonds2

About 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63403688) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63403688
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C18H19BrFN/c19-17-9-8-15(20)11-14(17)10-13-6-3-5-12-4-1-2-7-16(12)18(13)21/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2
InChIKeyIYAXATCJPLEDLZ-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-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403373
6-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115983185
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 102616734
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777
6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403689
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399673
2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014650
1-(2-bromo-5-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964226
5-bromo-6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470876

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63403688) is 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1Cc1cc(F)ccc1Br.
What is the InChIKey of 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IYAXATCJPLEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-17-9-8-15(20)11-14(17)10-13-6-3-5-12-4-1-2-7-16(12)18(13)21/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2.
What are the key properties of 6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-[(2-bromo-5-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-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63403688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).