4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine

C20H23BrN2 — CID 5138431

IUPAC4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3c(Br)cccc3c2CCCCN)cc1
InChIInChI=1S/C20H23BrN2/c1-2-14-9-11-15(12-10-14)19-16(6-3-4-13-22)17-7-5-8-18(21)20(17)23-19/h5,7-12,23H,2-4,6,13,22H2,1H3
InChIKeyYZHJAVZGKDZCFF-UHFFFAOYSA-N
MW371.32 g/mol
LogP5.44
Rot. Bonds6

About 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine

4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 5138431) has the molecular formula C20H23BrN2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID5138431
Molecular FormulaC20H23BrN2
Molecular Weight371.32 g/mol
Exact Mass370.10
IUPAC Name4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1ccc(-c2[nH]c3c(Br)cccc3c2CCCCN)cc1
InChIInChI=1S/C20H23BrN2/c1-2-14-9-11-15(12-10-14)19-16(6-3-4-13-22)17-7-5-8-18(21)20(17)23-19/h5,7-12,23H,2-4,6,13,22H2,1H3
InChIKeyYZHJAVZGKDZCFF-UHFFFAOYSA-N
XLogP5.44
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[7-bromo-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3383373
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[7-bromo-2-(5-chlorothiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4543172
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
4-[7-bromo-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4993717
4-[5-chloro-2-(4-ethylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3500746
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[7-bromo-5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4546142
4-[7-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3541792

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine (CID 5138431) is 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine is CCc1ccc(-c2[nH]c3c(Br)cccc3c2CCCCN)cc1.
What is the InChIKey of 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is YZHJAVZGKDZCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2/c1-2-14-9-11-15(12-10-14)19-16(6-3-4-13-22)17-7-5-8-18(21)20(17)23-19/h5,7-12,23H,2-4,6,13,22H2,1H3.
What are the key properties of 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 371.32 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5138431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).