N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

C17H18F3N3 — CID 112820602

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCN1CCc2ccccc21
InChIInChI=1S/C17H18F3N3/c18-17(19,20)14-6-3-9-21-16(14)22-10-4-11-23-12-8-13-5-1-2-7-15(13)23/h1-3,5-7,9H,4,8,10-12H2,(H,21,22)
InChIKeyFYHNMWYBTBLMIW-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.97
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 112820602) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID112820602
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCN1CCc2ccccc21
InChIInChI=1S/C17H18F3N3/c18-17(19,20)14-6-3-9-21-16(14)22-10-4-11-23-12-8-13-5-1-2-7-15(13)23/h1-3,5-7,9H,4,8,10-12H2,(H,21,22)
InChIKeyFYHNMWYBTBLMIW-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (CID 112820602) is N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FYHNMWYBTBLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-17(19,20)14-6-3-9-21-16(14)22-10-4-11-23-12-8-13-5-1-2-7-15(13)23/h1-3,5-7,9H,4,8,10-12H2,(H,21,22).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 321.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 112820602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).