4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C18H23BrN2 — CID 44533057

IUPAC4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1Br
InChIInChI=1S/C18H23BrN2/c1-3-4-5-14-6-7-16-17(18(14)19)15(12-20-16)13-8-10-21(2)11-9-13/h6-8,12,20H,3-5,9-11H2,1-2H3
InChIKeyUWAXFZYZNXLAEQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.99
Rot. Bonds4

About 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 44533057) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID44533057
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1Br
InChIInChI=1S/C18H23BrN2/c1-3-4-5-14-6-7-16-17(18(14)19)15(12-20-16)13-8-10-21(2)11-9-13/h6-8,12,20H,3-5,9-11H2,1-2H3
InChIKeyUWAXFZYZNXLAEQ-UHFFFAOYSA-N
XLogP4.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
5-Bromoindole
CID 24905
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 44533057) is 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CCCCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1Br.
What is the InChIKey of 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is UWAXFZYZNXLAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-3-4-5-14-6-7-16-17(18(14)19)15(12-20-16)13-8-10-21(2)11-9-13/h6-8,12,20H,3-5,9-11H2,1-2H3.
What are the key properties of 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 347.30 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-butyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 44533057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).