4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine

C20H23FN2 — CID 3458945

IUPAC4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C20H23FN2/c1-13-6-11-18-17(5-3-4-12-22)20(23-19(18)14(13)2)15-7-9-16(21)10-8-15/h6-11,23H,3-5,12,22H2,1-2H3
InChIKeyZMFMVIHYPPRUTG-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.87
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine

4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3458945) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
PubChem CID3458945
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C20H23FN2/c1-13-6-11-18-17(5-3-4-12-22)20(23-19(18)14(13)2)15-7-9-16(21)10-8-15/h6-11,23H,3-5,12,22H2,1-2H3
InChIKeyZMFMVIHYPPRUTG-UHFFFAOYSA-N
XLogP4.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.87
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-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758
4-[2-(2,4-difluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3985960
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(2-chloro-4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217375
4-[2-(1,3-benzodioxol-5-yl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4017312
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[2-(2,4-dichlorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5196949
4-[2-(2-ethoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3902538
4-[6-chloro-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3525870
3-(4-aminobutyl)-2-(4-fluorophenyl)-7-methyl-1H-indole-4-carboxylic acid
CID 3484461
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine (CID 3458945) is 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine is Cc1ccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c2c1C.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is ZMFMVIHYPPRUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-13-6-11-18-17(5-3-4-12-22)20(23-19(18)14(13)2)15-7-9-16(21)10-8-15/h6-11,23H,3-5,12,22H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 310.42 g/mol, XLogP of 4.87, 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)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3458945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).