3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine

C15H19F3N2 — CID 117120307

IUPAC3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCC(C)n1c(CCCN)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H19F3N2/c1-10(2)20-11(5-4-8-19)9-12-13(15(16,17)18)6-3-7-14(12)20/h3,6-7,9-10H,4-5,8,19H2,1-2H3
InChIKeyGOIFLGJADLFARA-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.13
Rot. Bonds4

About 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine

3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine (PubChem CID 117120307) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
PubChem CID117120307
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCC(C)n1c(CCCN)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H19F3N2/c1-10(2)20-11(5-4-8-19)9-12-13(15(16,17)18)6-3-7-14(12)20/h3,6-7,9-10H,4-5,8,19H2,1-2H3
InChIKeyGOIFLGJADLFARA-UHFFFAOYSA-N
XLogP4.13
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
CID 117120272
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
CID 117194285
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117121603
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117194282

Frequently Asked Questions

What is the IUPAC name of 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine (CID 117120307) is 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine is CC(C)n1c(CCCN)cc2c(C(F)(F)F)cccc21.
What is the InChIKey of 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine?
The InChIKey is GOIFLGJADLFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-10(2)20-11(5-4-8-19)9-12-13(15(16,17)18)6-3-7-14(12)20/h3,6-7,9-10H,4-5,8,19H2,1-2H3.
What are the key properties of 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine?
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine has a molecular weight of 284.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine is sourced from PubChem (CID 117120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).