3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine

C19H23F3N2S — CID 137442947

IUPAC3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)N1CC(C)(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H23F3N2S/c1-18(2)12-24(16(6-8-23-3)13-7-9-25-11-13)17-5-4-14(10-15(17)18)19(20,21)22/h4-5,7,9-11,16,23H,6,8,12H2,1-3H3
InChIKeyDWRFKOKJETYCRN-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.22
Rot. Bonds5

About 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine

3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 137442947) has the molecular formula C19H23F3N2S and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID137442947
Molecular FormulaC19H23F3N2S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC Name3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)N1CC(C)(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H23F3N2S/c1-18(2)12-24(16(6-8-23-3)13-7-9-25-11-13)17-5-4-14(10-15(17)18)19(20,21)22/h4-5,7,9-11,16,23H,6,8,12H2,1-3H3
InChIKeyDWRFKOKJETYCRN-UHFFFAOYSA-N
XLogP5.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
CID 10061927
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CID 178243362
(S)-2-(1-indolinyl)-2-(2-thienyl)ethylamine
CID 30113239
(1S)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 97790161
2,2-Dimethyl-N-[2-[2-methylamino-2-(3-methyl-2-thienyl)ethyl]-4-trifluoromethylphenyl]propanamide
CID 19096191
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 22414435
2-Amino-N-methyl-alpha-(3-methyl-2-thienyl)-5-trifluoromethylbenzeneethanamine dihydrochloride
CID 22414496
5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole
CID 58020540
2-[(Thiophen-3-yl-methyl)amino]-5-trifluoromethylbenzonitrile
CID 63243696
2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline
CID 68729792
5-[2-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]ethyl]indoline hydrochloride
CID 68831584
4-Methyl-3-propyl-2-thiophen-3-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 137442947) is 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine is CNCCC(c1ccsc1)N1CC(C)(C)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is DWRFKOKJETYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2S/c1-18(2)12-24(16(6-8-23-3)13-7-9-25-11-13)17-5-4-14(10-15(17)18)19(20,21)22/h4-5,7,9-11,16,23H,6,8,12H2,1-3H3.
What are the key properties of 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine?
3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 368.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 137442947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).