4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine

C24H23FN2 — CID 3911726

IUPAC4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2c(F)cccc12
InChIInChI=1S/C24H23FN2/c25-22-15-8-14-21-20(13-6-7-16-26)23(27-24(21)22)19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-5,8-12,14-15,27H,6-7,13,16,26H2
InChIKeyCGYCOIRMXGHQBD-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.92
Rot. Bonds6

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

4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3911726) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3911726
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2c(F)cccc12
InChIInChI=1S/C24H23FN2/c25-22-15-8-14-21-20(13-6-7-16-26)23(27-24(21)22)19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-5,8-12,14-15,27H,6-7,13,16,26H2
InChIKeyCGYCOIRMXGHQBD-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-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
4-[6-chloro-7-methyl-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5214084
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(1-benzothiophen-3-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4537398
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
4-[2-(5-bromo-2-chlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3393614
4-[2-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3270834
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3569575
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3397207
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine (CID 3911726) is 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccccc2-c2ccccc2)[nH]c2c(F)cccc12.
What is the InChIKey of 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is CGYCOIRMXGHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c25-22-15-8-14-21-20(13-6-7-16-26)23(27-24(21)22)19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-5,8-12,14-15,27H,6-7,13,16,26H2.
What are the key properties of 4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-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-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3911726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).