1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine

C11H15BrN2 — CID 83866994

IUPAC1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)C1CNc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-5,7,10,13-14H,6H2,1-2H3
InChIKeyPMDWPKPNTCLKDK-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine

1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine (PubChem CID 83866994) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
PubChem CID83866994
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)C1CNc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-5,7,10,13-14H,6H2,1-2H3
InChIKeyPMDWPKPNTCLKDK-UHFFFAOYSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
(4S)-6-bromo-4-[(1R)-1-fluoroethyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 170542142
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117202166
(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
CID 71068546
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
5-bromo-3-pent-3-ynyl-2,3-dihydro-1H-indole
CID 106986488
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 117199956

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine (CID 83866994) is 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine is CNC(C)C1CNc2ccc(Br)cc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is PMDWPKPNTCLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-5,7,10,13-14H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 83866994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).