(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine

C13H15F3N2 — CID 175501585

IUPAC(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC(F)C(F)F
InChIInChI=1S/C13H15F3N2/c1-8(18-13(16)12(14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,17-18H,6H2,1H3/t8-,13?/m1/s1
InChIKeyNHYAPNMDJXIOHI-UOGPZTOASA-N
MW256.27 g/mol
LogP3.25
Rot. Bonds5

About (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine

(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine (PubChem CID 175501585) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
PubChem CID175501585
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC(F)C(F)F
InChIInChI=1S/C13H15F3N2/c1-8(18-13(16)12(14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,17-18H,6H2,1H3/t8-,13?/m1/s1
InChIKeyNHYAPNMDJXIOHI-UOGPZTOASA-N
XLogP3.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-fluoropropyl)-1H-indole
CID 142409179
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392250
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine (CID 175501585) is (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine is C[C@H](Cc1c[nH]c2ccccc12)NC(F)C(F)F.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is NHYAPNMDJXIOHI-UOGPZTOASA-N. The full InChI is InChI=1S/C13H15F3N2/c1-8(18-13(16)12(14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7-8,12-13,17-18H,6H2,1H3/t8-,13?/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 256.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 175501585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).