2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine

C18H19BrFN — CID 65404945

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)C1CCc2ccccc21
InChIInChI=1S/C18H19BrFN/c1-21-18(11-13-10-14(19)7-9-17(13)20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18,21H,6,8,11H2,1H3
InChIKeyWTLOQYCHWYXMHR-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.45
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine (PubChem CID 65404945) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
PubChem CID65404945
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)C1CCc2ccccc21
InChIInChI=1S/C18H19BrFN/c1-21-18(11-13-10-14(19)7-9-17(13)20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18,21H,6,8,11H2,1H3
InChIKeyWTLOQYCHWYXMHR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
[2-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234368
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105234410
1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 65406106
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234372
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 104802066
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
[2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234339
[2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234516
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105234418
2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399921

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine (CID 65404945) is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)C1CCc2ccccc21.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
The InChIKey is WTLOQYCHWYXMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-18(11-13-10-14(19)7-9-17(13)20)16-8-6-12-4-2-3-5-15(12)16/h2-5,7,9-10,16,18,21H,6,8,11H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine has a molecular weight of 348.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine is sourced from PubChem (CID 65404945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).