(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine

C11H11F3N2 — CID 95447779

IUPAC(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-6-9(10(15)11(12,13)14)7-4-2-3-5-8(7)16-6/h2-5,10,16H,15H2,1H3/t10-/m1/s1
InChIKeyKRNPFQCSJGJCNF-SNVBAGLBSA-N
MW228.22 g/mol
LogP3.04
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 95447779) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
PubChem CID95447779
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-6-9(10(15)11(12,13)14)7-4-2-3-5-8(7)16-6/h2-5,10,16H,15H2,1H3/t10-/m1/s1
InChIKeyKRNPFQCSJGJCNF-SNVBAGLBSA-N
XLogP3.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171312424
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 4198221

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine (CID 95447779) is (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is KRNPFQCSJGJCNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-6-9(10(15)11(12,13)14)7-4-2-3-5-8(7)16-6/h2-5,10,16H,15H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 228.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 95447779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).