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

C14H19F3N2 — CID 117199339

IUPACN-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
SMILESCNC(C)CC1CN(C)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H19F3N2/c1-9(18-2)7-10-8-19(3)12-6-4-5-11(13(10)12)14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyQQVKFHWKDLCGNB-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.24
Rot. Bonds3

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

N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine (PubChem CID 117199339) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
PubChem CID117199339
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
SMILESCNC(C)CC1CN(C)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H19F3N2/c1-9(18-2)7-10-8-19(3)12-6-4-5-11(13(10)12)14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyQQVKFHWKDLCGNB-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine (CID 117199339) is N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine is CNC(C)CC1CN(C)c2cccc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine?
The InChIKey is QQVKFHWKDLCGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9(18-2)7-10-8-19(3)12-6-4-5-11(13(10)12)14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine?
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine has a molecular weight of 272.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine is sourced from PubChem (CID 117199339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).