3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine

C19H18F2N2 — CID 155166141

IUPAC3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine
SMILESCc1c(-c2ccc(F)cc2)c2ccccc2n1CC(F)=CCN
InChIInChI=1S/C19H18F2N2/c1-13-19(14-6-8-15(20)9-7-14)17-4-2-3-5-18(17)23(13)12-16(21)10-11-22/h2-10H,11-12,22H2,1H3
InChIKeyOXSKHEAEVOOIBZ-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.57
Rot. Bonds4

About 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine

3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine (PubChem CID 155166141) has the molecular formula C19H18F2N2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine
PubChem CID155166141
Molecular FormulaC19H18F2N2
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC Name3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine
SMILESCc1c(-c2ccc(F)cc2)c2ccccc2n1CC(F)=CCN
InChIInChI=1S/C19H18F2N2/c1-13-19(14-6-8-15(20)9-7-14)17-4-2-3-5-18(17)23(13)12-16(21)10-11-22/h2-10H,11-12,22H2,1H3
InChIKeyOXSKHEAEVOOIBZ-UHFFFAOYSA-N
XLogP4.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine?
The IUPAC name of 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine (CID 155166141) is 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine.
What is the SMILES notation for 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine?
The canonical SMILES for 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine is Cc1c(-c2ccc(F)cc2)c2ccccc2n1CC(F)=CCN.
What is the InChIKey of 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine?
The InChIKey is OXSKHEAEVOOIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2/c1-13-19(14-6-8-15(20)9-7-14)17-4-2-3-5-18(17)23(13)12-16(21)10-11-22/h2-10H,11-12,22H2,1H3.
What are the key properties of 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine?
3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine has a molecular weight of 312.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(4-fluorophenyl)-2-methylindol-1-yl]but-2-en-1-amine is sourced from PubChem (CID 155166141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).