2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine

C18H19BrN2 — CID 57195325

IUPAC2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C18H19BrN2/c1-21(2)11-10-14-12-20-16-9-8-15(18(19)17(14)16)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyLVOVETKSNYGYOT-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine

2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 57195325) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID57195325
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C18H19BrN2/c1-21(2)11-10-14-12-20-16-9-8-15(18(19)17(14)16)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyLVOVETKSNYGYOT-UHFFFAOYSA-N
XLogP4.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
5-Methyltryptamine
CID 15760
5-Bromoindole
CID 24905
alpha-Methyl-1H-indole-5-ethanamine
CID 55253543
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
N,N-Dipropyltryptamine
CID 6091
N-Skatylpiperidine
CID 21454
N,N-Dimethylhomotryptamine
CID 52549

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine (CID 57195325) is 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(-c3ccccc3)c(Br)c12.
What is the InChIKey of 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is LVOVETKSNYGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-21(2)11-10-14-12-20-16-9-8-15(18(19)17(14)16)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 343.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 57195325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).