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

C19H21FN2 — CID 170888876

IUPAC1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine
SMILESCCC(N)Cc1c(-c2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C19H21FN2/c1-3-15(21)12-18-19(13-8-10-14(20)11-9-13)16-6-4-5-7-17(16)22(18)2/h4-11,15H,3,12,21H2,1-2H3
InChIKeyXQCIBLJCDMSLPZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.26
Rot. Bonds4

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

1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine (PubChem CID 170888876) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine
PubChem CID170888876
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine
SMILESCCC(N)Cc1c(-c2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C19H21FN2/c1-3-15(21)12-18-19(13-8-10-14(20)11-9-13)16-6-4-5-7-17(16)22(18)2/h4-11,15H,3,12,21H2,1-2H3
InChIKeyXQCIBLJCDMSLPZ-UHFFFAOYSA-N
XLogP4.26
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine (CID 170888876) is 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine is CCC(N)Cc1c(-c2ccc(F)cc2)c2ccccc2n1C.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine?
The InChIKey is XQCIBLJCDMSLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-3-15(21)12-18-19(13-8-10-14(20)11-9-13)16-6-4-5-7-17(16)22(18)2/h4-11,15H,3,12,21H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine?
1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-methylindol-2-yl]butan-2-amine is sourced from PubChem (CID 170888876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).