1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine

C15H21BrN2 — CID 132510885

IUPAC1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine
SMILESCCCCn1cc(CN(C)C)c2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2/c1-4-5-8-18-11-12(10-17(2)3)14-9-13(16)6-7-15(14)18/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQRAWZHRXCWVDNZ-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.27
Rot. Bonds5

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

1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine (PubChem CID 132510885) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine
PubChem CID132510885
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine
SMILESCCCCn1cc(CN(C)C)c2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2/c1-4-5-8-18-11-12(10-17(2)3)14-9-13(16)6-7-15(14)18/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQRAWZHRXCWVDNZ-UHFFFAOYSA-N
XLogP4.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromoindole
CID 24905
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Bromotryptamine
CID 77158
1-Methylindole
CID 11781
1-Methyl-1H-indole-3-carbonitrile
CID 2307681
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
6-Bromoquinoline
CID 79243
6-bromo-9H-pyrido(3,4-b)indole
CID 162883
Aplicyanin A
CID 16718383
6-Bromo-1-methyl-9H-pyrido(3,4-b)indole
CID 5380465
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
1-methyl-N,N-dimethyltryptamine
CID 25927

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine (CID 132510885) is 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine is CCCCn1cc(CN(C)C)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is QRAWZHRXCWVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-4-5-8-18-11-12(10-17(2)3)14-9-13(16)6-7-15(14)18/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine?
1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 309.25 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-butylindol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 132510885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).