N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine

C14H19F3N2 — CID 117198098

IUPACN-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
SMILESCNCCCC1Cc2c(cccc2C(F)(F)F)N1C
InChIInChI=1S/C14H19F3N2/c1-18-8-4-5-10-9-11-12(14(15,16)17)6-3-7-13(11)19(10)2/h3,6-7,10,18H,4-5,8-9H2,1-2H3
InChIKeyGVYANGTYCKIUPU-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine

N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine (PubChem CID 117198098) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
PubChem CID117198098
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
SMILESCNCCCC1Cc2c(cccc2C(F)(F)F)N1C
InChIInChI=1S/C14H19F3N2/c1-18-8-4-5-10-9-11-12(14(15,16)17)6-3-7-13(11)19(10)2/h3,6-7,10,18H,4-5,8-9H2,1-2H3
InChIKeyGVYANGTYCKIUPU-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine (CID 117198098) is N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine is CNCCCC1Cc2c(cccc2C(F)(F)F)N1C.
What is the InChIKey of N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine?
The InChIKey is GVYANGTYCKIUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-18-8-4-5-10-9-11-12(14(15,16)17)6-3-7-13(11)19(10)2/h3,6-7,10,18H,4-5,8-9H2,1-2H3.
What are the key properties of N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine?
N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine is sourced from PubChem (CID 117198098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).