2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

C17H18BrFN2 — CID 63235168

IUPAC2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C17H18BrFN2/c18-14-5-6-16(19)13(9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9,12H,7-8,10-11,20H2
InChIKeyLDNBCAPAYFJSFZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235168) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235168
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C17H18BrFN2/c18-14-5-6-16(19)13(9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9,12H,7-8,10-11,20H2
InChIKeyLDNBCAPAYFJSFZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 83233282
2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 65477648
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-4-bromobenzonitrile
CID 114905477
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 63235664
2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235084
2-[1-(2-methoxyethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235883
2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235614
2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63236194
2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
CID 66043826
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
1-[[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]methyl]cyclohexan-1-ol
CID 65213423

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (CID 63235168) is 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(Cc2cc(Br)ccc2F)c2ccccc21.
What is the InChIKey of 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is LDNBCAPAYFJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-14-5-6-16(19)13(9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9,12H,7-8,10-11,20H2.
What are the key properties of 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 349.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).