3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine

C13H15F3N2 — CID 83920000

IUPAC3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
SMILESCNCC(c1cn(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H15F3N2/c1-17-7-11(13(14,15)16)10-8-18(2)12-6-4-3-5-9(10)12/h3-6,8,11,17H,7H2,1-2H3
InChIKeyBBEDXTWDMYNYAZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.04
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine (PubChem CID 83920000) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
PubChem CID83920000
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
SMILESCNCC(c1cn(C)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H15F3N2/c1-17-7-11(13(14,15)16)10-8-18(2)12-6-4-3-5-9(10)12/h3-6,8,11,17H,7H2,1-2H3
InChIKeyBBEDXTWDMYNYAZ-UHFFFAOYSA-N
XLogP3.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
1-methyl-3-propan-2-ylindole
CID 10942942
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide
CID 155889188
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
CID 116830387
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine (CID 83920000) is 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine is CNCC(c1cn(C)c2ccccc12)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is BBEDXTWDMYNYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-17-7-11(13(14,15)16)10-8-18(2)12-6-4-3-5-9(10)12/h3-6,8,11,17H,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 256.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83920000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).