4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine

C18H19FN2 — CID 3946658

IUPAC4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C18H19FN2/c19-14-10-8-13(9-11-14)18-16(6-3-4-12-20)15-5-1-2-7-17(15)21-18/h1-2,5,7-11,21H,3-4,6,12,20H2
InChIKeyLUIPNWRRDBGAMJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.26
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine

4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3946658) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3946658
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C18H19FN2/c19-14-10-8-13(9-11-14)18-16(6-3-4-12-20)15-5-1-2-7-17(15)21-18/h1-2,5,7-11,21H,3-4,6,12,20H2
InChIKeyLUIPNWRRDBGAMJ-UHFFFAOYSA-N
XLogP4.26
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.26
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-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5008569
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
CID 3575438
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3565408
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3458945
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine (CID 3946658) is 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is LUIPNWRRDBGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c19-14-10-8-13(9-11-14)18-16(6-3-4-12-20)15-5-1-2-7-17(15)21-18/h1-2,5,7-11,21H,3-4,6,12,20H2.
What are the key properties of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine?
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3946658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).