2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine

C17H19BrN2 — CID 63784913

IUPAC2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N1c1cc(Br)ccc1CCN
InChIInChI=1S/C17H19BrN2/c1-12-10-14-4-2-3-5-16(14)20(12)17-11-15(18)7-6-13(17)8-9-19/h2-7,11-12H,8-10,19H2,1H3
InChIKeyFOHQJMXTEXIOLO-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.03
Rot. Bonds3

About 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine

2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine (PubChem CID 63784913) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
PubChem CID63784913
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N1c1cc(Br)ccc1CCN
InChIInChI=1S/C17H19BrN2/c1-12-10-14-4-2-3-5-16(14)20(12)17-11-15(18)7-6-13(17)8-9-19/h2-7,11-12H,8-10,19H2,1H3
InChIKeyFOHQJMXTEXIOLO-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784738
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 114889438
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63786834
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
CID 114845142
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 43184711
5-bromo-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 79712520

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine (CID 63784913) is 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine is CC1Cc2ccccc2N1c1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The InChIKey is FOHQJMXTEXIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-10-14-4-2-3-5-16(14)20(12)17-11-15(18)7-6-13(17)8-9-19/h2-7,11-12H,8-10,19H2,1H3.
What are the key properties of 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine has a molecular weight of 331.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63784913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).