2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine

C17H19BrN2 — CID 43184711

IUPAC2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2ccccc2N1C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2/c1-12-9-13-5-2-3-8-16(13)20(12)17(11-19)14-6-4-7-15(18)10-14/h2-8,10,12,17H,9,11,19H2,1H3
InChIKeyUMPPYXYIWXTSFR-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine

2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 43184711) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
PubChem CID43184711
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2ccccc2N1C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2/c1-12-9-13-5-2-3-8-16(13)20(12)17(11-19)14-6-4-7-15(18)10-14/h2-8,10,12,17H,9,11,19H2,1H3
InChIKeyUMPPYXYIWXTSFR-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 24703848
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 63776922
2-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 114999984
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(2-methyl-2,3-dihydroindol-1-yl)hexan-1-amine
CID 114993614
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
CID 43130428
2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63404278
2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784913
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine (CID 43184711) is 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine is CC1Cc2ccccc2N1C(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is UMPPYXYIWXTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-9-13-5-2-3-8-16(13)20(12)17(11-19)14-6-4-7-15(18)10-14/h2-8,10,12,17H,9,11,19H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine?
2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 331.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 43184711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).