1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine

C11H15BrN2 — CID 117199958

IUPAC1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyPZVQFEHWMZBIQX-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine

1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine (PubChem CID 117199958) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
PubChem CID117199958
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyPZVQFEHWMZBIQX-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine (CID 117199958) is 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine is CNCC1CN(C)c2cccc(Br)c21.
What is the InChIKey of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The InChIKey is PZVQFEHWMZBIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117199958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).