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

C18H19BrFN — CID 79700045

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C18H19BrFN/c1-21-18(8-12-6-16(19)11-17(20)7-12)15-9-13-4-2-3-5-14(13)10-15/h2-7,11,15,18,21H,8-10H2,1H3
InChIKeyXSOOCIYWLWTIFY-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.13
Rot. Bonds4

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

2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine (PubChem CID 79700045) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
PubChem CID79700045
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C18H19BrFN/c1-21-18(8-12-6-16(19)11-17(20)7-12)15-9-13-4-2-3-5-14(13)10-15/h2-7,11,15,18,21H,8-10H2,1H3
InChIKeyXSOOCIYWLWTIFY-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374018
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936078
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
[2-(3-bromo-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231693
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64776459

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine (CID 79700045) is 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)C1Cc2ccccc2C1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine?
The InChIKey is XSOOCIYWLWTIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-18(8-12-6-16(19)11-17(20)7-12)15-9-13-4-2-3-5-14(13)10-15/h2-7,11,15,18,21H,8-10H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine has a molecular weight of 348.26 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine is sourced from PubChem (CID 79700045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).