1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine

C11H13BrN2 — CID 13249

IUPAC1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
InChIKeyFSERHDPEOFYMMK-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.99
Rot. Bonds2

About 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 13249) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID13249
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
InChIKeyFSERHDPEOFYMMK-UHFFFAOYSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 13249) is 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FSERHDPEOFYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 13249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).