N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine

C11H13F3N2 — CID 117202732

IUPACN-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
SMILESCNCC1Cc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C11H13F3N2/c1-15-6-9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5,9,15-16H,4,6H2,1H3
InChIKeyTYSCMIJLPQATTR-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.26
Rot. Bonds2

About N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine

N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine (PubChem CID 117202732) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
PubChem CID117202732
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
SMILESCNCC1Cc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C11H13F3N2/c1-15-6-9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5,9,15-16H,4,6H2,1H3
InChIKeyTYSCMIJLPQATTR-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 67764160
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
CID 117202787
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 22735274
N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
CID 142799251
2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
CID 117193878
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 113324376
2-(2-methylsulfanylethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502367
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
CID 142174206
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
2-(methylaminomethyl)-1,2,3,4-tetrahydroquinolin-6-ol
CID 105446256

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine (CID 117202732) is N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine is CNCC1Cc2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine?
The InChIKey is TYSCMIJLPQATTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-15-6-9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5,9,15-16H,4,6H2,1H3.
What are the key properties of N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine?
N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine has a molecular weight of 230.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine is sourced from PubChem (CID 117202732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).