4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine

C18H20BrN3O — CID 3982849

IUPAC4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ncccc1-c1[nH]c2ccc(Br)cc2c1CCCCN
InChIInChI=1S/C18H20BrN3O/c1-23-18-14(6-4-10-21-18)17-13(5-2-3-9-20)15-11-12(19)7-8-16(15)22-17/h4,6-8,10-11,22H,2-3,5,9,20H2,1H3
InChIKeyUEMZIFMCJGZDBU-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.28
Rot. Bonds6

About 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine

4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3982849) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3982849
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ncccc1-c1[nH]c2ccc(Br)cc2c1CCCCN
InChIInChI=1S/C18H20BrN3O/c1-23-18-14(6-4-10-21-18)17-13(5-2-3-9-20)15-11-12(19)7-8-16(15)22-17/h4,6-8,10-11,22H,2-3,5,9,20H2,1H3
InChIKeyUEMZIFMCJGZDBU-UHFFFAOYSA-N
XLogP4.28
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3380533
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687
4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3357825
4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3331930
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
CID 3963169
4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5139293
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine (CID 3982849) is 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine is COc1ncccc1-c1[nH]c2ccc(Br)cc2c1CCCCN.
What is the InChIKey of 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is UEMZIFMCJGZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-23-18-14(6-4-10-21-18)17-13(5-2-3-9-20)15-11-12(19)7-8-16(15)22-17/h4,6-8,10-11,22H,2-3,5,9,20H2,1H3.
What are the key properties of 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine?
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 374.28 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3982849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).