1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

C18H19BrFN — CID 115865099

IUPAC1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(F)cc1Br
InChIInChI=1S/C18H19BrFN/c1-21-18(16-8-7-15(20)11-17(16)19)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,18,21H,2-4,10H2,1H3
InChIKeyTWKATQOFCLOGMX-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (PubChem CID 115865099) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
PubChem CID115865099
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(F)cc1Br
InChIInChI=1S/C18H19BrFN/c1-21-18(16-8-7-15(20)11-17(16)19)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,18,21H,2-4,10H2,1H3
InChIKeyTWKATQOFCLOGMX-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 106857743
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
6-[bromo-(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439529
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (CID 115865099) is 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is CNC(Cc1ccc2c(c1)CCC2)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The InChIKey is TWKATQOFCLOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-18(16-8-7-15(20)11-17(16)19)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,18,21H,2-4,10H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine has a molecular weight of 348.26 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is sourced from PubChem (CID 115865099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).