[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine

C15H13BrF2N2 — CID 107532532

IUPAC[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCc3ccc(F)cc32)c(F)c1Br
InChIInChI=1S/C15H13BrF2N2/c16-14-10(8-19)2-4-12(15(14)18)20-6-5-9-1-3-11(17)7-13(9)20/h1-4,7H,5-6,8,19H2
InChIKeyMYWBBRHNLHEAFQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.88
Rot. Bonds2

About [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine

[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine (PubChem CID 107532532) has the molecular formula C15H13BrF2N2 and a molecular weight of 339.18 g/mol. Its IUPAC name is [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
PubChem CID107532532
Molecular FormulaC15H13BrF2N2
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCc3ccc(F)cc32)c(F)c1Br
InChIInChI=1S/C15H13BrF2N2/c16-14-10(8-19)2-4-12(15(14)18)20-6-5-9-1-3-11(17)7-13(9)20/h1-4,7H,5-6,8,19H2
InChIKeyMYWBBRHNLHEAFQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methoxyphenyl]methanamine
CID 103494040
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
[4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanol
CID 103498387
[2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methanamine
CID 107532137
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 103502911
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103494010
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine (CID 107532532) is [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine is NCc1ccc(N2CCc3ccc(F)cc32)c(F)c1Br.
What is the InChIKey of [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The InChIKey is MYWBBRHNLHEAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2/c16-14-10(8-19)2-4-12(15(14)18)20-6-5-9-1-3-11(17)7-13(9)20/h1-4,7H,5-6,8,19H2.
What are the key properties of [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine?
[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine has a molecular weight of 339.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine is sourced from PubChem (CID 107532532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).