1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine

C15H16BrFN2 — CID 107593886

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(F)c(Br)cc1-n1ccc2c1CCCC2N
InChIInChI=1S/C15H16BrFN2/c1-9-7-12(17)11(16)8-15(9)19-6-5-10-13(18)3-2-4-14(10)19/h5-8,13H,2-4,18H2,1H3
InChIKeyDLKYYKWXDCIERU-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.02
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine

1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 107593886) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID107593886
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(F)c(Br)cc1-n1ccc2c1CCCC2N
InChIInChI=1S/C15H16BrFN2/c1-9-7-12(17)11(16)8-15(9)19-6-5-10-13(18)3-2-4-14(10)19/h5-8,13H,2-4,18H2,1H3
InChIKeyDLKYYKWXDCIERU-UHFFFAOYSA-N
XLogP4.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63464844
1-(5-bromo-2,4-difluorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 102854845
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 62812939
1-(6-bromonaphthalen-2-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 81267157
1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine
CID 114389245
4-(4-amino-4,5,6,7-tetrahydroindol-1-yl)-3-methoxybenzonitrile
CID 104850009
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 107590742
1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 62813453
1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol
CID 81274785
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
CID 107592754
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 107593886) is 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc(F)c(Br)cc1-n1ccc2c1CCCC2N.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is DLKYYKWXDCIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-9-7-12(17)11(16)8-15(9)19-6-5-10-13(18)3-2-4-14(10)19/h5-8,13H,2-4,18H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 323.21 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 107593886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).