[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine

C16H15BrFNO — CID 107532626

IUPAC[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc3c(c2)CCC3)c(F)c1Br
InChIInChI=1S/C16H15BrFNO/c17-15-12(9-19)5-7-14(16(15)18)20-13-6-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9,19H2
InChIKeyUMQKUIVLFPUBBM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.33
Rot. Bonds3

About [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine

[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine (PubChem CID 107532626) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
PubChem CID107532626
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(Oc2ccc3c(c2)CCC3)c(F)c1Br
InChIInChI=1S/C16H15BrFNO/c17-15-12(9-19)5-7-14(16(15)18)20-13-6-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9,19H2
InChIKeyUMQKUIVLFPUBBM-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 28966366
[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 107532608
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
CID 107087384
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
[6-(2,3-dihydro-1H-inden-5-yloxy)pyridazin-3-yl]methanamine
CID 62322559
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine (CID 107532626) is [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine is NCc1ccc(Oc2ccc3c(c2)CCC3)c(F)c1Br.
What is the InChIKey of [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine?
The InChIKey is UMQKUIVLFPUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-15-12(9-19)5-7-14(16(15)18)20-13-6-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9,19H2.
What are the key properties of [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine?
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine has a molecular weight of 336.20 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).