1-(5-bromoindol-1-yl)-N,N-dimethylethanamine

C12H15BrN2 — CID 170693260

IUPAC1-(5-bromoindol-1-yl)-N,N-dimethylethanamine
SMILESCC(N(C)C)n1ccc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2/c1-9(14(2)3)15-7-6-10-8-11(13)4-5-12(10)15/h4-9H,1-3H3
InChIKeyQSCVTZIMXRCMDU-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.48
Rot. Bonds2

About 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine

1-(5-bromoindol-1-yl)-N,N-dimethylethanamine (PubChem CID 170693260) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5-bromoindol-1-yl)-N,N-dimethylethanamine
PubChem CID170693260
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(5-bromoindol-1-yl)-N,N-dimethylethanamine
SMILESCC(N(C)C)n1ccc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2/c1-9(14(2)3)15-7-6-10-8-11(13)4-5-12(10)15/h4-9H,1-3H3
InChIKeyQSCVTZIMXRCMDU-UHFFFAOYSA-N
XLogP3.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoindol-1-yl)propanoic acid
CID 60756311
methyl (2S)-2-(5-bromoindol-1-yl)propanoate
CID 118001554
ethyl 2-(5-bromoindol-1-yl)pentanoate
CID 113345781
5-bromo-1-(trideuteriomethyl)indole
CID 155291943
1-[1,3-bis(prop-2-enoxy)propan-2-yl]-5-bromoindole
CID 176563760
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
CID 57060481
6-bromo-2-propan-2-ylisoquinolin-1-one
CID 23158301
5-iodo-1-propan-2-ylindole
CID 135396038
CID 174065240
CID 174065240
5-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 152563642
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
5-bromoindole-1-carbodithioate
CID 146169025

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine (CID 170693260) is 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine is CC(N(C)C)n1ccc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is QSCVTZIMXRCMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-9(14(2)3)15-7-6-10-8-11(13)4-5-12(10)15/h4-9H,1-3H3.
What are the key properties of 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine?
1-(5-bromoindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 170693260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).