4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine

C24H23FN2 — CID 4027468

IUPAC4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H23FN2/c25-18-13-14-23-22(16-18)21(12-6-7-15-26)24(27-23)20-11-5-4-10-19(20)17-8-2-1-3-9-17/h1-5,8-11,13-14,16,27H,6-7,12,15,26H2
InChIKeyQJYBXZQBULJEIX-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.92
Rot. Bonds6

About 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine

4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 4027468) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID4027468
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H23FN2/c25-18-13-14-23-22(16-18)21(12-6-7-15-26)24(27-23)20-11-5-4-10-19(20)17-8-2-1-3-9-17/h1-5,8-11,13-14,16,27H,6-7,12,15,26H2
InChIKeyQJYBXZQBULJEIX-UHFFFAOYSA-N
XLogP5.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.92
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-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3911726
4-[2-(2-chloro-4-fluorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 5013299
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
3-(4-aminobutyl)-2-(2-chloro-4-fluorophenyl)-1H-indole-5-carbonitrile
CID 4039429
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
CID 3359187
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[2-(3-bromothiophen-2-yl)-5-fluoro-1H-indol-3-yl]butan-1-amine
CID 4589874
4-[5-tert-butyl-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4312932
4-[6-chloro-7-methyl-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5214084
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine (CID 4027468) is 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is QJYBXZQBULJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c25-18-13-14-23-22(16-18)21(12-6-7-15-26)24(27-23)20-11-5-4-10-19(20)17-8-2-1-3-9-17/h1-5,8-11,13-14,16,27H,6-7,12,15,26H2.
What are the key properties of 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 358.46 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4027468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).