3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine

C14H17F3N2 — CID 117120954

IUPAC3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
SMILESCCn1cc(CCCN)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-2-19-9-10(4-3-7-18)12-8-11(14(15,16)17)5-6-13(12)19/h5-6,8-9H,2-4,7,18H2,1H3
InChIKeyAWMWNAYNADNVOH-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.57
Rot. Bonds4

About 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine

3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine (PubChem CID 117120954) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
PubChem CID117120954
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
SMILESCCn1cc(CCCN)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-2-19-9-10(4-3-7-18)12-8-11(14(15,16)17)5-6-13(12)19/h5-6,8-9H,2-4,7,18H2,1H3
InChIKeyAWMWNAYNADNVOH-UHFFFAOYSA-N
XLogP3.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine (CID 117120954) is 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine is CCn1cc(CCCN)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine?
The InChIKey is AWMWNAYNADNVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-2-19-9-10(4-3-7-18)12-8-11(14(15,16)17)5-6-13(12)19/h5-6,8-9H,2-4,7,18H2,1H3.
What are the key properties of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine?
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine has a molecular weight of 270.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine is sourced from PubChem (CID 117120954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).