N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine

C14H19F3N2 — CID 166138523

IUPACN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
SMILESCN(C)CCC1(C)CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3N2/c1-13(6-7-19(2)3)9-18-12-5-4-10(8-11(12)13)14(15,16)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyBVSUBVDFKGOMEQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.34
Rot. Bonds3

About N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine

N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine (PubChem CID 166138523) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
PubChem CID166138523
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
SMILESCN(C)CCC1(C)CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3N2/c1-13(6-7-19(2)3)9-18-12-5-4-10(8-11(12)13)14(15,16)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyBVSUBVDFKGOMEQ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 105486439
N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine
CID 166138554
3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 22735233
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
2-methyl-2-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-1,4-benzoxazine
CID 114494616
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-5-amine
CID 125453278
3,3-dimethyl-7-(trifluoromethyl)-2,4-dihydro-1,4-benzoxazine
CID 115095228
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097115
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
CID 19066385
5-tert-butyl-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701782
4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097551

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine (CID 166138523) is N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine is CN(C)CCC1(C)CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine?
The InChIKey is BVSUBVDFKGOMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-13(6-7-19(2)3)9-18-12-5-4-10(8-11(12)13)14(15,16)17/h4-5,8,18H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine?
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine has a molecular weight of 272.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 166138523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).