[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine

C17H16F2N2 — CID 116790148

IUPAC[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine
SMILESNCc1cn(CC(F)(F)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H16F2N2/c18-17(19,14-6-2-1-3-7-14)12-21-11-13(10-20)15-8-4-5-9-16(15)21/h1-9,11H,10,12,20H2
InChIKeyZCHSPTUQTOXIBB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.89
Rot. Bonds4

About [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine

[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine (PubChem CID 116790148) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine
PubChem CID116790148
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine
SMILESNCc1cn(CC(F)(F)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H16F2N2/c18-17(19,14-6-2-1-3-7-14)12-21-11-13(10-20)15-8-4-5-9-16(15)21/h1-9,11H,10,12,20H2
InChIKeyZCHSPTUQTOXIBB-UHFFFAOYSA-N
XLogP3.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine?
The IUPAC name of [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine (CID 116790148) is [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine is NCc1cn(CC(F)(F)c2ccccc2)c2ccccc12.
What is the InChIKey of [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine?
The InChIKey is ZCHSPTUQTOXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c18-17(19,14-6-2-1-3-7-14)12-21-11-13(10-20)15-8-4-5-9-16(15)21/h1-9,11H,10,12,20H2.
What are the key properties of [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine?
[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine has a molecular weight of 286.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 116790148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).